NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
14068 | 1wf5 | 10129 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 5.743 -32.549 -13.009 2 HA2 GLY 1 1HA GLY 1 7.809 -31.994 -15.013 3 HA3 GLY 1 2HA GLY 1 6.146 -32.118 -15.554 4 H SER 2 H SER 2 8.209 -30.461 -13.073 5 HA SER 2 HA SER 2 7.293 -27.955 -13.788 6 HB2 SER 2 1HB SER 2 5.978 -27.395 -11.701 7 HB3 SER 2 2HB SER 2 5.157 -28.484 -12.802 8 HG SER 2 HG SER 2 5.631 -30.250 -11.455 9 H SER 3 H SER 3 8.091 -29.847 -10.777 10 HA SER 3 HA SER 3 9.555 -27.957 -9.523 11 HB2 SER 3 1HB SER 3 8.961 -30.105 -8.499 12 HB3 SER 3 2HB SER 3 9.996 -30.972 -9.616 13 HG SER 3 HG SER 3 11.791 -29.563 -8.671 14 H GLY 4 H GLY 4 11.804 -27.358 -9.468 15 HA2 GLY 4 1HA GLY 4 13.470 -28.429 -11.651 16 HA3 GLY 4 2HA GLY 4 13.221 -26.701 -11.497 17 H SER 5 H SER 5 15.764 -28.190 -11.273 18 HA SER 5 HA SER 5 16.535 -27.086 -8.740 19 HB2 SER 5 1HB SER 5 15.950 -29.794 -8.814 20 HB3 SER 5 2HB SER 5 17.672 -29.799 -9.139 21 HG SER 5 HG SER 5 17.350 -29.888 -6.876 22 H SER 6 H SER 6 19.032 -27.132 -8.539 23 HA SER 6 HA SER 6 20.269 -27.385 -11.151 24 HB2 SER 6 1HB SER 6 19.641 -24.990 -10.842 25 HB3 SER 6 2HB SER 6 20.541 -24.945 -9.339 26 HG SER 6 HG SER 6 22.036 -24.198 -10.758 27 H GLY 7 H GLY 7 20.923 -26.404 -7.700 28 HA2 GLY 7 1HA GLY 7 22.784 -28.607 -7.401 29 HA3 GLY 7 2HA GLY 7 23.518 -27.016 -7.404 30 H ARG 8 H ARG 8 23.761 -26.077 -5.427 31 HA ARG 8 HA ARG 8 21.618 -26.157 -3.584 32 HB2 ARG 8 1HB ARG 8 23.118 -28.366 -3.328 33 HB3 ARG 8 2HB ARG 8 24.199 -27.285 -2.471 34 HG2 ARG 8 1HG ARG 8 21.254 -27.300 -1.760 35 HG3 ARG 8 2HG ARG 8 22.284 -28.584 -1.160 36 HD2 ARG 8 1HD ARG 8 23.033 -27.213 0.486 37 HD3 ARG 8 2HD ARG 8 23.706 -26.133 -0.719 38 HE ARG 8 HE ARG 8 20.972 -25.536 -0.689 39 HH11 ARG 8 2HH2 ARG 8 23.571 -25.553 1.683 40 HH12 ARG 8 1HH2 ARG 8 22.876 -24.290 2.643 41 HH21 ARG 8 2HH1 ARG 8 20.054 -23.869 0.576 42 HH22 ARG 8 1HH1 ARG 8 20.862 -23.326 2.009 43 H SER 9 H SER 9 25.240 -25.776 -3.762 44 HA SER 9 HA SER 9 26.563 -24.125 -3.282 45 HB2 SER 9 1HB SER 9 24.425 -22.893 -4.578 46 HB3 SER 9 2HB SER 9 24.584 -21.931 -3.122 47 HG SER 9 HG SER 9 26.484 -21.146 -3.791 48 H ALA 10 H ALA 10 27.467 -23.296 -1.368 49 HA ALA 10 HA ALA 10 25.758 -22.483 0.789 50 HB1 ALA 10 1HB ALA 10 25.727 -24.391 1.975 51 HB2 ALA 10 2HB ALA 10 26.462 -25.224 0.584 52 HB3 ALA 10 3HB ALA 10 27.497 -24.536 1.859 53 H HIS 11 H HIS 11 26.773 -20.603 1.286 54 HA HIS 11 HA HIS 11 29.307 -20.597 2.396 55 HB2 HIS 11 1HB HIS 11 30.214 -21.017 0.216 56 HB3 HIS 11 2HB HIS 11 29.229 -19.763 -0.511 57 HD1 HIS 11 1HD HIS 11 29.833 -17.214 0.281 58 HD2 HIS 11 2HD HIS 11 32.685 -20.179 1.100 59 HE1 HIS 11 1HE HIS 11 32.021 -15.990 0.752 60 H LEU 12 H LEU 12 29.187 -18.932 3.815 61 HA LEU 12 HA LEU 12 28.648 -16.993 4.721 62 HB2 LEU 12 1HB LEU 12 29.285 -16.365 2.096 63 HB3 LEU 12 2HB LEU 12 27.749 -15.561 2.347 64 HG LEU 12 HG LEU 12 29.071 -14.844 4.627 65 HD11 LEU 12 1HD1 LEU 12 31.172 -14.896 2.443 66 HD12 LEU 12 2HD1 LEU 12 31.341 -14.201 4.074 67 HD13 LEU 12 3HD1 LEU 12 31.139 -15.958 3.871 68 HD21 LEU 12 1HD2 LEU 12 29.191 -12.670 3.705 69 HD22 LEU 12 2HD2 LEU 12 29.320 -13.295 2.044 70 HD23 LEU 12 3HD2 LEU 12 27.790 -13.456 2.939 71 H ARG 13 H ARG 13 26.693 -15.352 4.951 72 HA ARG 13 HA ARG 13 24.545 -16.763 5.686 73 HB2 ARG 13 1HB ARG 13 25.092 -13.909 5.046 74 HB3 ARG 13 2HB ARG 13 23.394 -14.331 4.952 75 HG2 ARG 13 1HG ARG 13 23.261 -14.242 7.211 76 HG3 ARG 13 2HG ARG 13 24.376 -15.590 7.318 77 HD2 ARG 13 1HD ARG 13 26.286 -13.871 7.053 78 HD3 ARG 13 2HD ARG 13 25.077 -12.621 7.272 79 HE ARG 13 HE ARG 13 24.907 -14.621 9.371 80 HH11 ARG 13 2HH2 ARG 13 26.725 -11.797 8.321 81 HH12 ARG 13 1HH2 ARG 13 27.239 -11.375 9.920 82 HH21 ARG 13 2HH1 ARG 13 25.586 -14.065 11.481 83 HH22 ARG 13 1HH1 ARG 13 26.587 -12.674 11.730 84 H VAL 14 H VAL 14 22.304 -16.952 4.784 85 HA VAL 14 HA VAL 14 22.436 -17.436 1.920 86 HB VAL 14 HB VAL 14 21.636 -19.111 3.653 87 HG11 VAL 14 1HG1 VAL 14 20.275 -17.596 5.013 88 HG12 VAL 14 2HG1 VAL 14 19.189 -17.311 3.632 89 HG13 VAL 14 3HG1 VAL 14 19.286 -18.929 4.369 90 HG21 VAL 14 1HG2 VAL 14 19.727 -19.873 2.188 91 HG22 VAL 14 2HG2 VAL 14 19.915 -18.359 1.272 92 HG23 VAL 14 3HG2 VAL 14 21.249 -19.535 1.330 93 H ARG 15 H ARG 15 21.570 -16.069 0.441 94 HA ARG 15 HA ARG 15 20.291 -13.734 1.438 95 HB2 ARG 15 1HB ARG 15 21.555 -14.630 -1.075 96 HB3 ARG 15 2HB ARG 15 20.096 -13.707 -1.377 97 HG2 ARG 15 1HG ARG 15 21.062 -11.994 0.357 98 HG3 ARG 15 2HG ARG 15 22.584 -12.834 0.135 99 HD2 ARG 15 1HD ARG 15 21.530 -12.375 -2.490 100 HD3 ARG 15 2HD ARG 15 21.319 -10.877 -1.606 101 HE ARG 15 HE ARG 15 23.927 -11.732 -0.999 102 HH11 ARG 15 2HH2 ARG 15 22.135 -10.866 -3.901 103 HH12 ARG 15 1HH2 ARG 15 23.535 -10.304 -4.752 104 HH21 ARG 15 2HH1 ARG 15 25.774 -10.990 -2.122 105 HH22 ARG 15 1HH1 ARG 15 25.619 -10.375 -3.733 106 H GLN 16 H GLN 16 18.199 -14.250 2.204 107 HA GLN 16 HA GLN 16 16.517 -15.827 0.471 108 HB2 GLN 16 1HB GLN 16 16.737 -15.452 3.292 109 HB3 GLN 16 2HB GLN 16 15.165 -14.822 2.838 110 HG2 GLN 16 1HG GLN 16 14.985 -17.224 3.349 111 HG3 GLN 16 2HG GLN 16 14.638 -16.951 1.653 112 HE21 GLN 16 1HE2 GLN 16 16.998 -18.077 3.980 113 HE22 GLN 16 2HE2 GLN 16 17.981 -19.010 2.902 114 H LEU 17 H LEU 17 14.305 -15.064 -0.112 115 HA LEU 17 HA LEU 17 14.409 -12.229 -0.754 116 HB2 LEU 17 1HB LEU 17 12.906 -14.603 -1.793 117 HB3 LEU 17 2HB LEU 17 12.287 -12.988 -2.079 118 HG LEU 17 HG LEU 17 14.979 -14.069 -2.953 119 HD11 LEU 17 1HD1 LEU 17 14.145 -13.997 -5.178 120 HD12 LEU 17 2HD1 LEU 17 12.932 -14.851 -4.194 121 HD13 LEU 17 3HD1 LEU 17 12.661 -13.157 -4.669 122 HD21 LEU 17 1HD2 LEU 17 15.395 -11.808 -2.464 123 HD22 LEU 17 2HD2 LEU 17 15.092 -11.856 -4.218 124 HD23 LEU 17 3HD2 LEU 17 13.821 -11.286 -3.110 125 HA PRO 18 HA PRO 18 11.560 -11.294 2.364 126 HB2 PRO 18 1HB PRO 18 10.865 -8.765 1.598 127 HB3 PRO 18 2HB PRO 18 12.324 -9.126 2.498 128 HG2 PRO 18 1HG PRO 18 12.032 -8.447 -0.365 129 HG3 PRO 18 2HG PRO 18 13.470 -8.393 0.635 130 HD2 PRO 18 1HD PRO 18 12.804 -10.397 -1.305 131 HD3 PRO 18 2HD PRO 18 14.183 -10.403 -0.224 132 H HIS 19 H HIS 19 9.671 -12.278 2.653 133 HA HIS 19 HA HIS 19 7.994 -12.703 0.465 134 HB2 HIS 19 1HB HIS 19 6.936 -14.092 1.861 135 HB3 HIS 19 2HB HIS 19 8.258 -13.755 2.961 136 HD1 HIS 19 1HD HIS 19 4.750 -13.978 3.041 137 HD2 HIS 19 2HD HIS 19 7.472 -11.151 4.522 138 HE1 HIS 19 1HE HIS 19 3.526 -12.703 4.881 139 H ALA 20 H ALA 20 5.572 -12.015 0.494 140 HA ALA 20 HA ALA 20 5.502 -9.226 0.213 141 HB1 ALA 20 1HB ALA 20 3.720 -11.546 -0.119 142 HB2 ALA 20 2HB ALA 20 2.865 -10.065 0.375 143 HB3 ALA 20 3HB ALA 20 3.864 -10.067 -1.098 144 HA PRO 21 HA PRO 21 4.324 -7.896 4.155 145 HB2 PRO 21 1HB PRO 21 2.638 -5.805 3.653 146 HB3 PRO 21 2HB PRO 21 4.382 -5.678 3.541 147 HG2 PRO 21 1HG PRO 21 2.392 -5.838 1.362 148 HG3 PRO 21 2HG PRO 21 4.056 -5.292 1.291 149 HD2 PRO 21 1HD PRO 21 3.038 -7.820 0.393 150 HD3 PRO 21 2HD PRO 21 4.717 -7.319 0.430 151 H GLU 22 H GLU 22 2.796 -7.851 5.891 152 HA GLU 22 HA GLU 22 0.460 -9.391 5.075 153 HB2 GLU 22 1HB GLU 22 2.349 -9.609 7.315 154 HB3 GLU 22 2HB GLU 22 0.688 -9.569 7.874 155 HG2 GLU 22 1HG GLU 22 0.502 -11.288 5.700 156 HG3 GLU 22 2HG GLU 22 2.104 -11.661 6.307 157 H HIS 23 H HIS 23 -1.312 -9.068 7.096 158 HA HIS 23 HA HIS 23 -2.993 -7.662 7.511 159 HB2 HIS 23 1HB HIS 23 -0.784 -7.284 9.218 160 HB3 HIS 23 2HB HIS 23 -1.406 -5.676 8.905 161 HD1 HIS 23 1HD HIS 23 -3.959 -5.225 9.584 162 HD2 HIS 23 2HD HIS 23 -2.337 -8.860 10.908 163 HE1 HIS 23 1HE HIS 23 -5.533 -6.092 11.396 164 HA PRO 24 HA PRO 24 -1.829 -4.565 4.322 165 HB2 PRO 24 1HB PRO 24 -3.120 -5.614 2.153 166 HB3 PRO 24 2HB PRO 24 -1.413 -5.859 2.464 167 HG2 PRO 24 1HG PRO 24 -3.651 -7.757 2.816 168 HG3 PRO 24 2HG PRO 24 -1.935 -8.092 2.708 169 HD2 PRO 24 1HD PRO 24 -3.534 -8.075 5.089 170 HD3 PRO 24 2HD PRO 24 -1.798 -8.295 4.994 171 H VAL 25 H VAL 25 -3.187 -3.499 6.001 172 HA VAL 25 HA VAL 25 -5.968 -3.397 5.123 173 HB VAL 25 HB VAL 25 -4.804 -2.060 7.550 174 HG11 VAL 25 1HG1 VAL 25 -7.409 -3.339 7.795 175 HG12 VAL 25 2HG1 VAL 25 -6.935 -1.648 8.086 176 HG13 VAL 25 3HG1 VAL 25 -7.367 -2.182 6.443 177 HG21 VAL 25 1HG2 VAL 25 -5.449 -4.992 7.186 178 HG22 VAL 25 2HG2 VAL 25 -3.978 -4.248 7.857 179 HG23 VAL 25 3HG2 VAL 25 -5.499 -4.202 8.780 180 H ALA 26 H ALA 26 -6.936 -1.518 4.339 181 HA ALA 26 HA ALA 26 -5.172 0.812 4.093 182 HB1 ALA 26 1HB ALA 26 -5.701 1.058 1.782 183 HB2 ALA 26 2HB ALA 26 -5.269 -0.656 1.992 184 HB3 ALA 26 3HB ALA 26 -6.978 -0.178 1.864 185 H THR 27 H THR 27 -6.131 2.466 5.155 186 HA THR 27 HA THR 27 -9.069 2.620 4.997 187 HB THR 27 HB THR 27 -8.512 3.813 7.381 188 HG1 THR 27 1HG THR 27 -6.589 1.643 6.924 189 HG21 THR 27 1HG2 THR 27 -9.016 1.696 8.509 190 HG22 THR 27 2HG2 THR 27 -9.994 1.763 7.023 191 HG23 THR 27 3HG2 THR 27 -8.519 0.767 7.074 192 H LEU 28 H LEU 28 -9.997 4.736 4.960 193 HA LEU 28 HA LEU 28 -8.585 6.493 3.319 194 HB2 LEU 28 1HB LEU 28 -11.194 6.314 4.594 195 HB3 LEU 28 2HB LEU 28 -10.607 7.965 4.533 196 HG LEU 28 HG LEU 28 -10.875 6.108 2.151 197 HD11 LEU 28 1HD1 LEU 28 -12.526 8.578 2.550 198 HD12 LEU 28 2HD1 LEU 28 -12.870 7.113 1.601 199 HD13 LEU 28 3HD1 LEU 28 -12.983 7.069 3.377 200 HD21 LEU 28 1HD2 LEU 28 -9.924 7.662 0.817 201 HD22 LEU 28 2HD2 LEU 28 -10.539 9.029 1.776 202 HD23 LEU 28 3HD2 LEU 28 -9.104 8.131 2.325 203 H SER 29 H SER 29 -8.410 8.969 4.001 204 HA SER 29 HA SER 29 -6.800 8.909 6.421 205 HB2 SER 29 1HB SER 29 -5.916 9.642 4.052 206 HB3 SER 29 2HB SER 29 -6.768 11.140 4.369 207 HG SER 29 HG SER 29 -5.129 11.741 5.592 208 H THR 30 H THR 30 -8.268 9.364 8.089 209 HA THR 30 HA THR 30 -10.355 11.273 7.770 210 HB THR 30 HB THR 30 -10.524 10.838 10.299 211 HG1 THR 30 1HG THR 30 -8.694 9.900 11.114 212 HG21 THR 30 1HG2 THR 30 -11.799 9.290 8.934 213 HG22 THR 30 2HG2 THR 30 -10.319 8.491 8.351 214 HG23 THR 30 3HG2 THR 30 -10.835 8.286 10.042 215 H VAL 31 H VAL 31 -8.478 12.778 6.788 216 HA VAL 31 HA VAL 31 -8.396 14.978 8.478 217 HB VAL 31 HB VAL 31 -6.435 13.071 9.131 218 HG11 VAL 31 1HG1 VAL 31 -4.333 14.346 8.752 219 HG12 VAL 31 2HG1 VAL 31 -5.076 13.760 7.245 220 HG13 VAL 31 3HG1 VAL 31 -5.236 15.471 7.709 221 HG21 VAL 31 1HG2 VAL 31 -6.750 16.000 9.861 222 HG22 VAL 31 2HG2 VAL 31 -7.415 14.591 10.723 223 HG23 VAL 31 3HG2 VAL 31 -5.657 14.867 10.692 224 H GLU 32 H GLU 32 -6.536 13.175 5.943 225 HA GLU 32 HA GLU 32 -6.369 15.672 4.477 226 HB2 GLU 32 1HB GLU 32 -4.562 13.524 4.878 227 HB3 GLU 32 2HB GLU 32 -5.053 13.398 3.200 228 HG2 GLU 32 1HG GLU 32 -3.989 15.934 4.534 229 HG3 GLU 32 2HG GLU 32 -3.058 14.878 3.489 230 H ARG 33 H ARG 33 -7.712 16.076 2.766 231 HA ARG 33 HA ARG 33 -9.665 14.168 2.131 232 HB2 ARG 33 1HB ARG 33 -8.952 16.955 1.274 233 HB3 ARG 33 2HB ARG 33 -9.903 16.031 0.128 234 HG2 ARG 33 1HG ARG 33 -10.656 16.354 3.070 235 HG3 ARG 33 2HG ARG 33 -11.268 17.390 1.796 236 HD2 ARG 33 1HD ARG 33 -12.248 15.400 0.640 237 HD3 ARG 33 2HD ARG 33 -11.623 14.354 1.899 238 HE ARG 33 HE ARG 33 -13.357 15.048 3.315 239 HH11 ARG 33 2HH2 ARG 33 -13.092 17.293 0.618 240 HH12 ARG 33 1HH2 ARG 33 -14.538 18.154 1.028 241 HH21 ARG 33 2HH1 ARG 33 -15.264 16.184 3.856 242 HH22 ARG 33 1HH1 ARG 33 -15.781 17.520 2.882 243 H ARG 34 H ARG 34 -9.864 12.819 0.290 244 HA ARG 34 HA ARG 34 -9.256 11.645 -1.417 245 HB2 ARG 34 1HB ARG 34 -7.580 14.085 -2.196 246 HB3 ARG 34 2HB ARG 34 -7.910 12.736 -3.264 247 HG2 ARG 34 1HG ARG 34 -10.434 13.210 -2.783 248 HG3 ARG 34 2HG ARG 34 -9.894 14.740 -2.122 249 HD2 ARG 34 1HD ARG 34 -8.819 15.336 -4.274 250 HD3 ARG 34 2HD ARG 34 -9.227 13.768 -4.943 251 HE ARG 34 HE ARG 34 -11.688 14.724 -4.158 252 HH11 ARG 34 2HH2 ARG 34 -9.097 16.098 -6.103 253 HH12 ARG 34 1HH2 ARG 34 -10.161 17.068 -7.066 254 HH21 ARG 34 2HH1 ARG 34 -13.092 16.003 -5.429 255 HH22 ARG 34 1HH1 ARG 34 -12.449 17.013 -6.680 256 H ALA 35 H ALA 35 -7.881 11.060 0.923 257 HA ALA 35 HA ALA 35 -5.349 10.124 -0.149 258 HB1 ALA 35 1HB ALA 35 -5.525 12.391 1.561 259 HB2 ALA 35 2HB ALA 35 -4.919 11.045 2.554 260 HB3 ALA 35 3HB ALA 35 -4.062 11.508 1.064 261 H ILE 36 H ILE 36 -4.784 8.100 0.667 262 HA ILE 36 HA ILE 36 -6.591 7.060 2.736 263 HB ILE 36 HB ILE 36 -5.523 5.641 0.294 264 HG12 ILE 36 1HG1 ILE 36 -8.393 6.304 0.995 265 HG13 ILE 36 2HG1 ILE 36 -7.401 7.304 -0.047 266 HG21 ILE 36 1HG2 ILE 36 -6.819 3.719 1.038 267 HG22 ILE 36 2HG2 ILE 36 -5.601 4.167 2.256 268 HG23 ILE 36 3HG2 ILE 36 -7.310 4.596 2.508 269 HD11 ILE 36 1HD1 ILE 36 -7.551 5.848 -1.802 270 HD12 ILE 36 2HD1 ILE 36 -7.340 4.422 -0.757 271 HD13 ILE 36 3HD1 ILE 36 -8.942 5.183 -0.912 272 H ASN 37 H ASN 37 -5.655 5.928 4.425 273 HA ASN 37 HA ASN 37 -2.785 6.159 4.513 274 HB2 ASN 37 1HB ASN 37 -4.941 6.285 6.430 275 HB3 ASN 37 2HB ASN 37 -3.919 4.939 6.895 276 HD21 ASN 37 1HD2 ASN 37 -4.418 8.175 7.199 277 HD22 ASN 37 2HD2 ASN 37 -2.848 8.714 7.694 278 H LEU 38 H LEU 38 -1.719 4.376 3.613 279 HA LEU 38 HA LEU 38 -2.988 1.778 3.743 280 HB2 LEU 38 1HB LEU 38 -1.666 2.967 1.776 281 HB3 LEU 38 2HB LEU 38 -0.285 2.237 2.569 282 HG LEU 38 HG LEU 38 -1.487 0.985 0.634 283 HD11 LEU 38 1HD1 LEU 38 0.323 0.176 2.293 284 HD12 LEU 38 2HD1 LEU 38 -1.011 -0.701 3.080 285 HD13 LEU 38 3HD1 LEU 38 -0.609 -1.034 1.379 286 HD21 LEU 38 1HD2 LEU 38 -3.733 1.286 1.950 287 HD22 LEU 38 2HD2 LEU 38 -3.411 -0.208 1.038 288 HD23 LEU 38 3HD2 LEU 38 -3.194 -0.179 2.805 289 H THR 39 H THR 39 -2.400 0.110 5.078 290 HA THR 39 HA THR 39 0.055 0.446 6.641 291 HB THR 39 HB THR 39 -1.299 -0.202 8.690 292 HG1 THR 39 1HG THR 39 -3.053 -1.105 7.279 293 HG21 THR 39 1HG2 THR 39 -2.019 1.972 9.157 294 HG22 THR 39 2HG2 THR 39 -0.996 2.321 7.743 295 HG23 THR 39 3HG2 THR 39 -2.759 2.176 7.551 296 H TRP 40 H TRP 40 1.251 -1.364 6.794 297 HA TRP 40 HA TRP 40 -0.104 -3.912 6.358 298 HB2 TRP 40 1HB TRP 40 1.528 -4.634 4.730 299 HB3 TRP 40 2HB TRP 40 0.639 -3.240 4.150 300 HD1 TRP 40 HD TRP 40 4.181 -4.349 4.982 301 HE1 TRP 40 1HE TRP 40 5.964 -2.504 4.366 302 HE3 TRP 40 3HE TRP 40 0.813 -0.652 4.063 303 HZ2 TRP 40 2HZ TRP 40 5.771 0.233 3.582 304 HZ3 TRP 40 3HZ TRP 40 1.693 1.577 3.377 305 HH2 TRP 40 HH TRP 40 4.079 2.049 3.132 306 H THR 41 H THR 41 1.761 -5.712 6.726 307 HA THR 41 HA THR 41 3.102 -4.883 9.201 308 HB THR 41 HB THR 41 2.182 -7.576 8.076 309 HG1 THR 41 1HG THR 41 0.749 -5.837 9.141 310 HG21 THR 41 1HG2 THR 41 2.851 -8.512 10.270 311 HG22 THR 41 2HG2 THR 41 4.283 -7.843 9.452 312 HG23 THR 41 3HG2 THR 41 3.501 -6.931 10.765 313 H LYS 42 H LYS 42 5.266 -5.753 9.664 314 HA LYS 42 HA LYS 42 6.930 -5.339 7.374 315 HB2 LYS 42 1HB LYS 42 7.251 -4.657 9.904 316 HB3 LYS 42 2HB LYS 42 7.958 -6.254 10.040 317 HG2 LYS 42 1HG LYS 42 8.809 -4.328 7.841 318 HG3 LYS 42 2HG LYS 42 9.540 -4.274 9.433 319 HD2 LYS 42 1HD LYS 42 9.907 -6.867 9.091 320 HD3 LYS 42 2HD LYS 42 9.630 -6.522 7.396 321 HE2 LYS 42 1HE LYS 42 12.045 -6.428 7.883 322 HE3 LYS 42 2HE LYS 42 11.471 -4.838 7.422 323 HZ1 LYS 42 1HZ LYS 42 11.663 -5.682 10.224 324 HZ2 LYS 42 2HZ LYS 42 12.890 -4.942 9.441 325 HZ3 LYS 42 3HZ LYS 42 11.469 -4.165 9.651 326 HA PRO 43 HA PRO 43 6.914 -9.614 6.426 327 HB2 PRO 43 1HB PRO 43 8.106 -9.405 3.976 328 HB3 PRO 43 2HB PRO 43 6.378 -9.240 4.218 329 HG2 PRO 43 1HG PRO 43 8.386 -7.134 3.695 330 HG3 PRO 43 2HG PRO 43 6.644 -7.058 3.520 331 HD2 PRO 43 1HD PRO 43 8.205 -5.934 5.648 332 HD3 PRO 43 2HD PRO 43 6.456 -5.960 5.531 333 H PHE 44 H PHE 44 8.433 -11.391 6.031 334 HA PHE 44 HA PHE 44 10.675 -11.015 7.660 335 HB2 PHE 44 1HB PHE 44 9.544 -13.195 7.268 336 HB3 PHE 44 2HB PHE 44 9.834 -13.080 5.544 337 HD1 PHE 44 1HD PHE 44 12.418 -12.193 7.998 338 HD2 PHE 44 2HD PHE 44 10.941 -15.211 5.406 339 HE1 PHE 44 1HE PHE 44 14.558 -13.475 8.272 340 HE2 PHE 44 2HE PHE 44 13.082 -16.493 5.679 341 HZ PHE 44 HZ PHE 44 14.865 -15.610 7.108 342 H ASP 45 H ASP 45 12.287 -9.594 7.099 343 HA ASP 45 HA ASP 45 12.981 -8.609 4.794 344 HB2 ASP 45 1HB ASP 45 15.486 -8.915 5.656 345 HB3 ASP 45 2HB ASP 45 14.363 -7.878 6.512 346 H GLY 46 H GLY 46 14.614 -11.607 6.099 347 HA2 GLY 46 1HA GLY 46 14.732 -13.602 4.787 348 HA3 GLY 46 2HA GLY 46 14.799 -12.625 3.334 349 H ASN 47 H ASN 47 16.579 -12.751 6.511 350 HA ASN 47 HA ASN 47 18.697 -12.941 6.965 351 HB2 ASN 47 1HB ASN 47 18.628 -14.006 4.194 352 HB3 ASN 47 2HB ASN 47 20.181 -13.308 4.607 353 HD21 ASN 47 1HD2 ASN 47 21.475 -14.941 5.018 354 HD22 ASN 47 2HD2 ASN 47 21.189 -16.241 6.126 355 H SER 48 H SER 48 18.289 -11.410 3.680 356 HA SER 48 HA SER 48 20.226 -9.408 4.414 357 HB2 SER 48 1HB SER 48 19.098 -10.492 1.913 358 HB3 SER 48 2HB SER 48 19.209 -8.743 1.890 359 HG SER 48 HG SER 48 21.159 -10.066 1.173 360 HA PRO 49 HA PRO 49 17.180 -6.433 5.318 361 HB2 PRO 49 1HB PRO 49 18.539 -4.102 4.885 362 HB3 PRO 49 2HB PRO 49 18.713 -5.056 6.345 363 HG2 PRO 49 1HG PRO 49 20.577 -4.800 4.064 364 HG3 PRO 49 2HG PRO 49 20.898 -5.386 5.684 365 HD2 PRO 49 1HD PRO 49 20.574 -6.974 3.318 366 HD3 PRO 49 2HD PRO 49 20.780 -7.563 4.956 367 H LEU 50 H LEU 50 15.589 -4.974 4.545 368 HA LEU 50 HA LEU 50 15.138 -5.395 1.780 369 HB2 LEU 50 1HB LEU 50 13.722 -3.443 3.586 370 HB3 LEU 50 2HB LEU 50 13.119 -4.187 2.118 371 HG LEU 50 HG LEU 50 13.835 -5.840 4.540 372 HD11 LEU 50 1HD1 LEU 50 11.445 -4.118 4.099 373 HD12 LEU 50 2HD1 LEU 50 11.182 -5.741 4.780 374 HD13 LEU 50 3HD1 LEU 50 12.263 -4.593 5.607 375 HD21 LEU 50 1HD2 LEU 50 12.747 -6.360 1.894 376 HD22 LEU 50 2HD2 LEU 50 13.386 -7.487 3.114 377 HD23 LEU 50 3HD2 LEU 50 11.684 -6.970 3.185 378 H ILE 51 H ILE 51 14.546 -3.400 0.333 379 HA ILE 51 HA ILE 51 16.610 -1.353 0.745 380 HB ILE 51 HB ILE 51 15.990 -3.015 -1.666 381 HG12 ILE 51 1HG1 ILE 51 18.526 -2.129 -0.267 382 HG13 ILE 51 2HG1 ILE 51 17.834 -3.738 -0.291 383 HG21 ILE 51 1HG2 ILE 51 17.434 -1.287 -2.927 384 HG22 ILE 51 2HG2 ILE 51 15.708 -0.936 -2.674 385 HG23 ILE 51 3HG2 ILE 51 16.935 -0.156 -1.646 386 HD11 ILE 51 1HD1 ILE 51 18.030 -3.514 -2.917 387 HD12 ILE 51 2HD1 ILE 51 19.201 -2.231 -2.529 388 HD13 ILE 51 3HD1 ILE 51 19.481 -3.893 -1.958 389 H ARG 52 H ARG 52 13.600 -2.198 -1.109 390 HA ARG 52 HA ARG 52 12.436 0.225 -0.190 391 HB2 ARG 52 1HB ARG 52 12.107 1.299 -2.326 392 HB3 ARG 52 2HB ARG 52 13.809 0.887 -2.257 393 HG2 ARG 52 1HG ARG 52 13.363 -1.188 -3.580 394 HG3 ARG 52 2HG ARG 52 11.659 -0.785 -3.644 395 HD2 ARG 52 1HD ARG 52 12.408 0.080 -5.694 396 HD3 ARG 52 2HD ARG 52 12.490 1.505 -4.678 397 HE ARG 52 HE ARG 52 14.984 0.096 -4.498 398 HH11 ARG 52 2HH2 ARG 52 13.119 2.043 -6.759 399 HH12 ARG 52 1HH2 ARG 52 14.513 2.622 -7.608 400 HH21 ARG 52 2HH1 ARG 52 16.824 0.859 -5.618 401 HH22 ARG 52 1HH1 ARG 52 16.635 1.944 -6.955 402 H TYR 53 H TYR 53 10.130 0.440 -1.489 403 HA TYR 53 HA TYR 53 9.119 -2.289 -1.902 404 HB2 TYR 53 1HB TYR 53 8.191 0.071 -0.183 405 HB3 TYR 53 2HB TYR 53 7.007 -1.090 -0.749 406 HD1 TYR 53 2HD TYR 53 10.382 -1.132 0.909 407 HD2 TYR 53 1HD TYR 53 6.445 -2.795 0.712 408 HE1 TYR 53 2HE TYR 53 10.916 -2.648 2.879 409 HE2 TYR 53 1HE TYR 53 6.992 -4.305 2.683 410 HH TYR 53 HH TYR 53 8.722 -5.180 3.851 411 H ILE 54 H ILE 54 7.284 -2.460 -3.329 412 HA ILE 54 HA ILE 54 6.908 -0.045 -4.961 413 HB ILE 54 HB ILE 54 6.916 -2.928 -5.864 414 HG12 ILE 54 1HG1 ILE 54 8.976 -0.736 -6.255 415 HG13 ILE 54 2HG1 ILE 54 9.163 -2.170 -5.265 416 HG21 ILE 54 1HG2 ILE 54 5.381 -1.232 -7.039 417 HG22 ILE 54 2HG2 ILE 54 6.885 -0.495 -7.641 418 HG23 ILE 54 3HG2 ILE 54 6.502 -2.187 -8.038 419 HD11 ILE 54 1HD1 ILE 54 10.100 -3.063 -7.152 420 HD12 ILE 54 2HD1 ILE 54 8.411 -3.308 -7.657 421 HD13 ILE 54 3HD1 ILE 54 9.309 -1.878 -8.219 422 H LEU 55 H LEU 55 5.032 0.776 -4.087 423 HA LEU 55 HA LEU 55 2.866 -1.081 -3.544 424 HB2 LEU 55 1HB LEU 55 3.347 0.540 -1.853 425 HB3 LEU 55 2HB LEU 55 3.272 1.859 -3.005 426 HG LEU 55 HG LEU 55 1.278 1.361 -1.369 427 HD11 LEU 55 1HD1 LEU 55 0.030 2.777 -2.627 428 HD12 LEU 55 2HD1 LEU 55 1.569 2.945 -3.504 429 HD13 LEU 55 3HD1 LEU 55 0.300 1.866 -4.132 430 HD21 LEU 55 1HD2 LEU 55 -0.497 0.010 -2.555 431 HD22 LEU 55 2HD2 LEU 55 0.797 -0.616 -3.605 432 HD23 LEU 55 3HD2 LEU 55 0.848 -0.919 -1.852 433 H GLU 56 H GLU 56 1.659 -1.715 -5.251 434 HA GLU 56 HA GLU 56 1.281 0.242 -7.365 435 HB2 GLU 56 1HB GLU 56 1.361 -2.749 -7.246 436 HB3 GLU 56 2HB GLU 56 0.249 -2.051 -8.408 437 HG2 GLU 56 1HG GLU 56 2.060 -0.755 -9.451 438 HG3 GLU 56 2HG GLU 56 3.190 -1.253 -8.207 439 H MET 57 H MET 57 -0.723 1.136 -7.774 440 HA MET 57 HA MET 57 -2.851 0.211 -6.026 441 HB2 MET 57 1HB MET 57 -2.283 2.609 -5.867 442 HB3 MET 57 2HB MET 57 -2.387 2.797 -7.606 443 HG2 MET 57 1HG MET 57 -4.848 2.144 -7.463 444 HG3 MET 57 2HG MET 57 -4.701 2.154 -5.717 445 HE1 MET 57 1HE MET 57 -3.541 5.596 -8.395 446 HE2 MET 57 2HE MET 57 -3.703 3.870 -8.799 447 HE3 MET 57 3HE MET 57 -5.128 4.936 -8.857 448 H SER 58 H SER 58 -4.963 -0.280 -6.835 449 HA SER 58 HA SER 58 -5.047 -0.532 -9.739 450 HB2 SER 58 1HB SER 58 -4.919 -2.777 -9.186 451 HB3 SER 58 2HB SER 58 -5.606 -2.542 -7.592 452 HG SER 58 HG SER 58 -7.108 -2.388 -10.066 453 H GLU 59 H GLU 59 -6.410 1.166 -10.289 454 HA GLU 59 HA GLU 59 -8.467 2.012 -8.591 455 HB2 GLU 59 1HB GLU 59 -7.144 3.102 -10.723 456 HB3 GLU 59 2HB GLU 59 -8.649 2.658 -11.502 457 HG2 GLU 59 1HG GLU 59 -9.911 4.161 -10.257 458 HG3 GLU 59 2HG GLU 59 -8.895 4.012 -8.837 459 H ASN 60 H ASN 60 -10.697 2.406 -10.324 460 HA ASN 60 HA ASN 60 -12.093 0.115 -9.900 461 HB2 ASN 60 1HB ASN 60 -12.443 2.529 -11.677 462 HB3 ASN 60 2HB ASN 60 -13.505 1.168 -11.977 463 HD21 ASN 60 1HD2 ASN 60 -13.498 3.995 -10.581 464 HD22 ASN 60 2HD2 ASN 60 -14.480 3.750 -9.176 465 H ASN 61 H ASN 61 -11.172 -1.833 -10.721 466 HA ASN 61 HA ASN 61 -10.636 -3.371 -12.150 467 HB2 ASN 61 1HB ASN 61 -12.862 -2.188 -13.286 468 HB3 ASN 61 2HB ASN 61 -11.708 -2.005 -14.593 469 HD21 ASN 61 1HD2 ASN 61 -11.797 -3.552 -16.014 470 HD22 ASN 61 2HD2 ASN 61 -12.118 -5.231 -15.732 471 H ALA 62 H ALA 62 -8.924 -0.903 -11.773 472 HA ALA 62 HA ALA 62 -7.686 -0.553 -14.377 473 HB1 ALA 62 1HB ALA 62 -6.198 0.878 -12.550 474 HB2 ALA 62 2HB ALA 62 -7.599 1.512 -13.445 475 HB3 ALA 62 3HB ALA 62 -7.810 0.879 -11.795 476 HA PRO 63 HA PRO 63 -4.547 -3.410 -13.536 477 HB2 PRO 63 1HB PRO 63 -2.602 -2.564 -15.259 478 HB3 PRO 63 2HB PRO 63 -3.970 -3.537 -15.761 479 HG2 PRO 63 1HG PRO 63 -3.491 -0.652 -16.192 480 HG3 PRO 63 2HG PRO 63 -4.605 -1.716 -17.026 481 HD2 PRO 63 1HD PRO 63 -5.261 0.214 -15.009 482 HD3 PRO 63 2HD PRO 63 -6.355 -0.930 -15.760 483 H TRP 64 H TRP 64 -2.766 -3.872 -12.262 484 HA TRP 64 HA TRP 64 -2.190 -2.078 -10.302 485 HB2 TRP 64 1HB TRP 64 -0.307 -4.167 -11.409 486 HB3 TRP 64 2HB TRP 64 -0.232 -3.434 -9.819 487 HD1 TRP 64 HD TRP 64 -1.530 -6.472 -11.426 488 HE1 TRP 64 1HE TRP 64 -3.280 -7.796 -9.959 489 HE3 TRP 64 3HE TRP 64 -2.387 -2.712 -8.111 490 HZ2 TRP 64 2HZ TRP 64 -4.791 -7.138 -7.630 491 HZ3 TRP 64 3HZ TRP 64 -4.015 -3.135 -6.271 492 HH2 TRP 64 HH TRP 64 -5.198 -5.257 -6.000 493 H THR 65 H THR 65 -1.371 -0.035 -10.445 494 HA THR 65 HA THR 65 0.642 0.451 -12.542 495 HB THR 65 HB THR 65 -1.804 1.570 -12.486 496 HG1 THR 65 1HG THR 65 -0.708 3.067 -13.792 497 HG21 THR 65 1HG2 THR 65 -0.095 3.484 -10.816 498 HG22 THR 65 2HG2 THR 65 -1.761 3.754 -11.382 499 HG23 THR 65 3HG2 THR 65 -1.432 2.522 -10.140 500 H VAL 66 H VAL 66 2.654 0.674 -11.818 501 HA VAL 66 HA VAL 66 3.306 0.767 -9.137 502 HB VAL 66 HB VAL 66 4.831 1.632 -11.599 503 HG11 VAL 66 1HG1 VAL 66 5.595 1.579 -8.720 504 HG12 VAL 66 2HG1 VAL 66 6.780 0.935 -9.881 505 HG13 VAL 66 3HG1 VAL 66 6.187 2.605 -10.049 506 HG21 VAL 66 1HG2 VAL 66 5.747 -0.808 -10.369 507 HG22 VAL 66 2HG2 VAL 66 3.998 -0.915 -10.682 508 HG23 VAL 66 3HG2 VAL 66 5.119 -0.540 -12.013 509 H LEU 67 H LEU 67 2.424 2.308 -7.805 510 HA LEU 67 HA LEU 67 2.338 5.049 -8.729 511 HB2 LEU 67 1HB LEU 67 1.066 3.425 -6.635 512 HB3 LEU 67 2HB LEU 67 1.477 5.053 -6.132 513 HG LEU 67 HG LEU 67 -0.338 4.223 -8.404 514 HD11 LEU 67 1HD1 LEU 67 -1.084 6.117 -6.209 515 HD12 LEU 67 2HD1 LEU 67 -2.097 4.998 -7.152 516 HD13 LEU 67 3HD1 LEU 67 -1.032 4.370 -5.871 517 HD21 LEU 67 1HD2 LEU 67 0.725 6.025 -9.395 518 HD22 LEU 67 2HD2 LEU 67 -0.664 6.794 -8.590 519 HD23 LEU 67 3HD2 LEU 67 0.953 6.879 -7.851 520 H LEU 68 H LEU 68 3.603 3.345 -5.772 521 HA LEU 68 HA LEU 68 5.679 5.417 -5.681 522 HB2 LEU 68 1HB LEU 68 3.884 4.416 -3.726 523 HB3 LEU 68 2HB LEU 68 5.491 3.885 -3.271 524 HG LEU 68 HG LEU 68 4.754 6.761 -3.874 525 HD11 LEU 68 1HD1 LEU 68 5.361 5.836 -1.103 526 HD12 LEU 68 2HD1 LEU 68 4.325 7.167 -1.672 527 HD13 LEU 68 3HD1 LEU 68 3.749 5.486 -1.773 528 HD21 LEU 68 1HD2 LEU 68 6.901 7.319 -3.616 529 HD22 LEU 68 2HD2 LEU 68 7.120 6.221 -2.232 530 HD23 LEU 68 3HD2 LEU 68 7.244 5.594 -3.894 531 H ALA 69 H ALA 69 7.535 4.746 -6.615 532 HA ALA 69 HA ALA 69 8.113 1.913 -6.695 533 HB1 ALA 69 1HB ALA 69 8.984 2.572 -8.657 534 HB2 ALA 69 2HB ALA 69 8.744 4.283 -8.230 535 HB3 ALA 69 3HB ALA 69 10.247 3.451 -7.762 536 H SER 70 H SER 70 9.766 4.952 -5.565 537 HA SER 70 HA SER 70 11.517 3.308 -3.984 538 HB2 SER 70 1HB SER 70 12.804 5.013 -4.852 539 HB3 SER 70 2HB SER 70 11.462 6.137 -4.932 540 HG SER 70 HG SER 70 11.657 6.554 -2.692 541 H VAL 71 H VAL 71 10.465 2.519 -2.157 542 HA VAL 71 HA VAL 71 9.175 4.551 -0.470 543 HB VAL 71 HB VAL 71 8.331 1.787 -1.252 544 HG11 VAL 71 1HG1 VAL 71 6.836 1.631 0.669 545 HG12 VAL 71 2HG1 VAL 71 8.528 1.735 1.213 546 HG13 VAL 71 3HG1 VAL 71 7.471 3.163 1.316 547 HG21 VAL 71 1HG2 VAL 71 6.492 4.079 -0.651 548 HG22 VAL 71 2HG2 VAL 71 7.460 4.116 -2.144 549 HG23 VAL 71 3HG2 VAL 71 6.334 2.771 -1.847 550 H ASP 72 H ASP 72 9.516 4.340 1.814 551 HA ASP 72 HA ASP 72 12.076 3.417 2.422 552 HB2 ASP 72 1HB ASP 72 9.841 4.775 3.778 553 HB3 ASP 72 2HB ASP 72 10.675 3.676 4.859 554 HA PRO 73 HA PRO 73 10.889 -0.718 3.387 555 HB2 PRO 73 1HB PRO 73 13.295 -1.636 4.303 556 HB3 PRO 73 2HB PRO 73 12.883 -1.561 2.602 557 HG2 PRO 73 1HG PRO 73 14.676 0.204 4.154 558 HG3 PRO 73 2HG PRO 73 14.579 -0.008 2.417 559 HD2 PRO 73 1HD PRO 73 13.542 2.192 3.937 560 HD3 PRO 73 2HD PRO 73 13.345 1.921 2.217 561 H LYS 74 H LYS 74 12.166 1.502 5.660 562 HA LYS 74 HA LYS 74 11.558 -0.226 7.883 563 HB2 LYS 74 1HB LYS 74 12.445 2.673 7.795 564 HB3 LYS 74 2HB LYS 74 12.326 1.684 9.236 565 HG2 LYS 74 1HG LYS 74 13.858 0.067 7.574 566 HG3 LYS 74 2HG LYS 74 14.392 1.668 7.100 567 HD2 LYS 74 1HD LYS 74 14.382 0.525 9.931 568 HD3 LYS 74 2HD LYS 74 15.794 0.849 8.945 569 HE2 LYS 74 1HE LYS 74 15.669 3.157 9.259 570 HE3 LYS 74 2HE LYS 74 13.923 3.155 9.411 571 HZ1 LYS 74 1HZ LYS 74 15.731 2.047 11.443 572 HZ2 LYS 74 2HZ LYS 74 15.108 3.555 11.499 573 HZ3 LYS 74 3HZ LYS 74 14.118 2.259 11.584 574 H ALA 75 H ALA 75 9.776 1.669 5.719 575 HA ALA 75 HA ALA 75 7.852 2.536 7.719 576 HB1 ALA 75 1HB ALA 75 6.891 3.097 5.140 577 HB2 ALA 75 2HB ALA 75 7.726 4.224 6.235 578 HB3 ALA 75 3HB ALA 75 8.654 3.310 5.023 579 H THR 76 H THR 76 5.772 1.674 7.937 580 HA THR 76 HA THR 76 5.280 -0.759 6.346 581 HB THR 76 HB THR 76 3.979 -1.361 8.580 582 HG1 THR 76 1HG THR 76 6.084 0.483 9.441 583 HG21 THR 76 1HG2 THR 76 6.588 -1.569 9.616 584 HG22 THR 76 2HG2 THR 76 5.765 -2.801 8.630 585 HG23 THR 76 3HG2 THR 76 6.832 -1.607 7.853 586 H SER 77 H SER 77 4.431 2.404 6.611 587 HA SER 77 HA SER 77 1.795 1.762 5.623 588 HB2 SER 77 1HB SER 77 0.938 3.812 6.999 589 HB3 SER 77 2HB SER 77 1.113 2.269 7.811 590 HG SER 77 HG SER 77 3.486 3.332 8.123 591 H VAL 78 H VAL 78 0.970 3.386 4.141 592 HA VAL 78 HA VAL 78 2.727 5.654 3.636 593 HB VAL 78 HB VAL 78 3.465 3.696 2.251 594 HG11 VAL 78 1HG1 VAL 78 0.615 3.732 1.536 595 HG12 VAL 78 2HG1 VAL 78 1.704 3.679 0.129 596 HG13 VAL 78 3HG1 VAL 78 1.819 2.430 1.391 597 HG21 VAL 78 1HG2 VAL 78 3.262 6.375 1.616 598 HG22 VAL 78 2HG2 VAL 78 4.199 5.160 0.715 599 HG23 VAL 78 3HG2 VAL 78 2.550 5.578 0.192 600 H THR 79 H THR 79 1.656 7.325 2.299 601 HA THR 79 HA THR 79 -1.276 7.061 2.451 602 HB THR 79 HB THR 79 0.529 9.503 2.869 603 HG1 THR 79 1HG THR 79 0.298 8.820 4.966 604 HG21 THR 79 1HG2 THR 79 -1.756 10.357 3.846 605 HG22 THR 79 2HG2 THR 79 -1.539 10.408 2.080 606 HG23 THR 79 3HG2 THR 79 -2.490 9.100 2.822 607 H VAL 80 H VAL 80 -2.303 7.022 0.561 608 HA VAL 80 HA VAL 80 -0.804 7.860 -1.786 609 HB VAL 80 HB VAL 80 -3.447 6.419 -1.487 610 HG11 VAL 80 1HG1 VAL 80 -3.591 7.280 -3.622 611 HG12 VAL 80 2HG1 VAL 80 -1.827 7.280 -3.862 612 HG13 VAL 80 3HG1 VAL 80 -2.736 5.752 -3.938 613 HG21 VAL 80 1HG2 VAL 80 -2.161 4.686 -0.870 614 HG22 VAL 80 2HG2 VAL 80 -1.627 4.642 -2.568 615 HG23 VAL 80 3HG2 VAL 80 -0.660 5.512 -1.353 616 H LYS 81 H LYS 81 -0.908 10.005 -2.240 617 HA LYS 81 HA LYS 81 -3.417 11.381 -1.653 618 HB2 LYS 81 1HB LYS 81 -0.616 12.391 -2.216 619 HB3 LYS 81 2HB LYS 81 -2.012 13.437 -2.059 620 HG2 LYS 81 1HG LYS 81 -2.292 12.964 0.231 621 HG3 LYS 81 2HG LYS 81 -1.497 11.407 0.118 622 HD2 LYS 81 1HD LYS 81 0.378 13.494 -0.653 623 HD3 LYS 81 2HD LYS 81 -0.343 13.910 0.889 624 HE2 LYS 81 1HE LYS 81 0.323 11.063 0.828 625 HE3 LYS 81 2HE LYS 81 1.731 12.020 0.412 626 HZ1 LYS 81 1HZ LYS 81 1.903 12.297 2.588 627 HZ2 LYS 81 2HZ LYS 81 0.672 13.364 2.478 628 HZ3 LYS 81 3HZ LYS 81 0.375 11.815 2.901 629 H GLY 82 H GLY 82 -4.323 12.863 -3.295 630 HA2 GLY 82 1HA GLY 82 -4.933 13.426 -5.394 631 HA3 GLY 82 2HA GLY 82 -3.460 12.700 -6.006 632 H LEU 83 H LEU 83 -6.757 11.904 -4.753 633 HA LEU 83 HA LEU 83 -6.757 9.638 -6.614 634 HB2 LEU 83 1HB LEU 83 -7.738 9.654 -3.758 635 HB3 LEU 83 2HB LEU 83 -8.109 8.398 -4.922 636 HG LEU 83 HG LEU 83 -5.342 9.134 -3.925 637 HD11 LEU 83 1HD1 LEU 83 -5.576 7.636 -2.297 638 HD12 LEU 83 2HD1 LEU 83 -7.318 7.637 -2.661 639 HD13 LEU 83 3HD1 LEU 83 -6.254 6.421 -3.408 640 HD21 LEU 83 1HD2 LEU 83 -4.895 6.811 -5.105 641 HD22 LEU 83 2HD2 LEU 83 -6.284 7.313 -6.100 642 HD23 LEU 83 3HD2 LEU 83 -4.835 8.344 -6.009 643 H VAL 84 H VAL 84 -9.079 8.924 -7.112 644 HA VAL 84 HA VAL 84 -10.605 11.355 -7.578 645 HB VAL 84 HB VAL 84 -10.563 8.576 -8.713 646 HG11 VAL 84 1HG1 VAL 84 -12.910 8.943 -8.418 647 HG12 VAL 84 2HG1 VAL 84 -12.786 10.618 -9.007 648 HG13 VAL 84 3HG1 VAL 84 -12.535 9.259 -10.129 649 HG21 VAL 84 1HG2 VAL 84 -9.951 9.597 -10.715 650 HG22 VAL 84 2HG2 VAL 84 -10.631 11.172 -10.241 651 HG23 VAL 84 3HG2 VAL 84 -9.119 10.596 -9.500 652 HA PRO 85 HA PRO 85 -13.320 10.322 -4.352 653 HB2 PRO 85 1HB PRO 85 -15.202 12.258 -4.769 654 HB3 PRO 85 2HB PRO 85 -13.716 12.541 -3.886 655 HG2 PRO 85 1HG PRO 85 -14.431 13.381 -6.628 656 HG3 PRO 85 2HG PRO 85 -13.162 13.997 -5.587 657 HD2 PRO 85 1HD PRO 85 -12.842 12.218 -7.815 658 HD3 PRO 85 2HD PRO 85 -11.593 12.741 -6.703 659 H ALA 86 H ALA 86 -15.078 9.043 -3.893 660 HA ALA 86 HA ALA 86 -16.772 7.698 -4.358 661 HB1 ALA 86 1HB ALA 86 -18.493 8.776 -5.327 662 HB2 ALA 86 2HB ALA 86 -17.358 10.089 -5.720 663 HB3 ALA 86 3HB ALA 86 -17.669 8.797 -6.904 664 H ARG 87 H ARG 87 -14.239 6.820 -5.037 665 HA ARG 87 HA ARG 87 -14.922 5.128 -7.256 666 HB2 ARG 87 1HB ARG 87 -12.681 7.132 -7.257 667 HB3 ARG 87 2HB ARG 87 -12.302 5.551 -7.910 668 HG2 ARG 87 1HG ARG 87 -14.569 5.856 -9.255 669 HG3 ARG 87 2HG ARG 87 -14.354 7.556 -8.887 670 HD2 ARG 87 1HD ARG 87 -11.932 7.273 -9.822 671 HD3 ARG 87 2HD ARG 87 -12.488 5.742 -10.470 672 HE ARG 87 HE ARG 87 -14.277 7.957 -11.133 673 HH11 ARG 87 2HH2 ARG 87 -11.347 6.259 -12.089 674 HH12 ARG 87 1HH2 ARG 87 -11.446 6.756 -13.745 675 HH21 ARG 87 2HH1 ARG 87 -14.409 8.613 -13.318 676 HH22 ARG 87 1HH1 ARG 87 -13.200 8.104 -14.449 677 H SER 88 H SER 88 -13.763 3.074 -7.195 678 HA SER 88 HA SER 88 -12.865 2.457 -4.567 679 HB2 SER 88 1HB SER 88 -13.219 0.829 -7.113 680 HB3 SER 88 2HB SER 88 -12.550 0.126 -5.654 681 HG SER 88 HG SER 88 -14.492 0.513 -4.542 682 H TYR 89 H TYR 89 -10.741 1.650 -3.991 683 HA TYR 89 HA TYR 89 -8.680 1.877 -6.040 684 HB2 TYR 89 1HB TYR 89 -9.110 3.496 -3.489 685 HB3 TYR 89 2HB TYR 89 -7.460 3.141 -3.961 686 HD1 TYR 89 1HD TYR 89 -7.031 3.622 -6.622 687 HD2 TYR 89 2HD TYR 89 -9.943 5.551 -4.151 688 HE1 TYR 89 1HE TYR 89 -7.060 5.616 -8.199 689 HE2 TYR 89 2HE TYR 89 -9.962 7.538 -5.737 690 HH TYR 89 HH TYR 89 -8.007 7.498 -8.699 691 H GLN 90 H GLN 90 -7.218 0.239 -5.867 692 HA GLN 90 HA GLN 90 -7.284 -1.226 -3.347 693 HB2 GLN 90 1HB GLN 90 -7.142 -2.065 -6.208 694 HB3 GLN 90 2HB GLN 90 -6.123 -2.974 -5.110 695 HG2 GLN 90 1HG GLN 90 -8.174 -3.280 -3.605 696 HG3 GLN 90 2HG GLN 90 -9.139 -2.561 -4.879 697 HE21 GLN 90 1HE2 GLN 90 -9.798 -5.006 -4.104 698 HE22 GLN 90 2HE2 GLN 90 -9.371 -6.215 -5.268 699 H PHE 91 H PHE 91 -5.229 -2.092 -2.519 700 HA PHE 91 HA PHE 91 -2.879 -0.781 -3.670 701 HB2 PHE 91 1HB PHE 91 -3.950 -0.869 -0.797 702 HB3 PHE 91 2HB PHE 91 -2.253 -0.557 -1.104 703 HD1 PHE 91 2HD PHE 91 -2.489 1.158 -3.548 704 HD2 PHE 91 1HD PHE 91 -4.688 1.168 0.081 705 HE1 PHE 91 2HE PHE 91 -2.995 3.596 -3.862 706 HE2 PHE 91 1HE PHE 91 -5.194 3.606 -0.233 707 HZ PHE 91 HZ PHE 91 -4.342 4.791 -2.200 708 H ARG 92 H ARG 92 -0.905 -1.935 -3.431 709 HA ARG 92 HA ARG 92 -0.784 -4.222 -1.815 710 HB2 ARG 92 1HB ARG 92 -0.390 -5.820 -3.832 711 HB3 ARG 92 2HB ARG 92 -2.051 -5.410 -3.451 712 HG2 ARG 92 1HG ARG 92 -2.247 -3.918 -5.287 713 HG3 ARG 92 2HG ARG 92 -0.514 -3.703 -5.429 714 HD2 ARG 92 1HD ARG 92 -0.890 -6.479 -5.806 715 HD3 ARG 92 2HD ARG 92 -2.238 -5.748 -6.654 716 HE ARG 92 HE ARG 92 -0.111 -4.200 -7.480 717 HH11 ARG 92 2HH2 ARG 92 -0.671 -7.673 -7.408 718 HH12 ARG 92 1HH2 ARG 92 0.336 -7.993 -8.780 719 HH21 ARG 92 2HH1 ARG 92 1.217 -4.621 -9.291 720 HH22 ARG 92 1HH1 ARG 92 1.417 -6.245 -9.859 721 H LEU 93 H LEU 93 1.300 -3.832 -1.108 722 HA LEU 93 HA LEU 93 3.281 -3.160 -3.171 723 HB2 LEU 93 1HB LEU 93 4.493 -1.941 -1.517 724 HB3 LEU 93 2HB LEU 93 2.842 -1.355 -1.581 725 HG LEU 93 HG LEU 93 3.626 -3.400 0.481 726 HD11 LEU 93 1HD1 LEU 93 5.132 -1.188 0.315 727 HD12 LEU 93 2HD1 LEU 93 3.775 -0.539 1.266 728 HD13 LEU 93 3HD1 LEU 93 4.683 -1.949 1.860 729 HD21 LEU 93 1HD2 LEU 93 1.470 -3.156 0.969 730 HD22 LEU 93 2HD2 LEU 93 1.869 -1.523 1.554 731 HD23 LEU 93 3HD2 LEU 93 1.307 -1.756 -0.119 732 H CYS 94 H CYS 94 5.374 -4.173 -3.024 733 HA CYS 94 HA CYS 94 5.247 -6.664 -1.485 734 HB2 CYS 94 1HB CYS 94 6.790 -7.600 -3.218 735 HB3 CYS 94 2HB CYS 94 5.194 -7.198 -3.819 736 HG CYS 94 HG CYS 94 5.793 -4.876 -4.816 737 H ALA 95 H ALA 95 7.734 -7.489 -1.213 738 HA ALA 95 HA ALA 95 9.156 -5.181 -0.090 739 HB1 ALA 95 1HB ALA 95 10.246 -6.889 1.356 740 HB2 ALA 95 2HB ALA 95 8.475 -6.883 1.535 741 HB3 ALA 95 3HB ALA 95 9.267 -8.152 0.571 742 H VAL 96 H VAL 96 11.079 -4.567 -0.970 743 HA VAL 96 HA VAL 96 12.335 -6.482 -2.813 744 HB VAL 96 HB VAL 96 12.264 -3.471 -3.070 745 HG11 VAL 96 1HG1 VAL 96 13.918 -3.781 -4.535 746 HG12 VAL 96 2HG1 VAL 96 13.822 -5.548 -4.340 747 HG13 VAL 96 3HG1 VAL 96 12.795 -4.727 -5.541 748 HG21 VAL 96 1HG2 VAL 96 10.308 -3.573 -4.147 749 HG22 VAL 96 2HG2 VAL 96 10.856 -4.938 -5.150 750 HG23 VAL 96 3HG2 VAL 96 10.148 -5.241 -3.545 751 H ASN 97 H ASN 97 14.450 -6.958 -2.407 752 HA ASN 97 HA ASN 97 15.857 -5.122 -0.649 753 HB2 ASN 97 1HB ASN 97 16.800 -7.037 0.617 754 HB3 ASN 97 2HB ASN 97 15.050 -7.061 0.715 755 HD21 ASN 97 1HD2 ASN 97 16.466 -9.302 1.245 756 HD22 ASN 97 2HD2 ASN 97 16.247 -10.500 0.014 757 H ASP 98 H ASP 98 18.363 -5.959 -0.626 758 HA ASP 98 HA ASP 98 19.416 -5.571 -3.033 759 HB2 ASP 98 1HB ASP 98 21.385 -7.061 -2.139 760 HB3 ASP 98 2HB ASP 98 20.958 -5.605 -1.263 761 H VAL 99 H VAL 99 18.544 -8.753 -1.515 762 HA VAL 99 HA VAL 99 19.496 -10.441 -3.462 763 HB VAL 99 HB VAL 99 16.955 -10.758 -1.854 764 HG11 VAL 99 1HG1 VAL 99 17.265 -13.104 -2.068 765 HG12 VAL 99 2HG1 VAL 99 17.474 -12.429 -3.701 766 HG13 VAL 99 3HG1 VAL 99 18.898 -12.904 -2.746 767 HG21 VAL 99 1HG2 VAL 99 18.145 -10.862 0.031 768 HG22 VAL 99 2HG2 VAL 99 19.283 -12.024 -0.691 769 HG23 VAL 99 3HG2 VAL 99 19.556 -10.276 -0.883 770 H GLY 100 H GLY 100 16.191 -8.952 -3.200 771 HA2 GLY 100 1HA GLY 100 15.873 -8.256 -5.821 772 HA3 GLY 100 2HA GLY 100 15.406 -9.944 -5.775 773 H LYS 101 H LYS 101 13.207 -9.180 -6.350 774 HA LYS 101 HA LYS 101 11.833 -7.957 -4.064 775 HB2 LYS 101 1HB LYS 101 11.643 -6.585 -6.014 776 HB3 LYS 101 2HB LYS 101 11.221 -7.950 -7.027 777 HG2 LYS 101 1HG LYS 101 9.270 -8.152 -5.097 778 HG3 LYS 101 2HG LYS 101 9.524 -6.418 -5.104 779 HD2 LYS 101 1HD LYS 101 8.748 -8.181 -7.466 780 HD3 LYS 101 2HD LYS 101 7.794 -6.908 -6.734 781 HE2 LYS 101 1HE LYS 101 9.475 -5.212 -7.467 782 HE3 LYS 101 2HE LYS 101 10.454 -6.480 -8.178 783 HZ1 LYS 101 1HZ LYS 101 9.017 -5.398 -9.782 784 HZ2 LYS 101 2HZ LYS 101 8.661 -6.987 -9.662 785 HZ3 LYS 101 3HZ LYS 101 7.687 -5.878 -8.964 786 H GLY 102 H GLY 102 10.265 -9.084 -2.985 787 HA2 GLY 102 1HA GLY 102 10.033 -11.897 -3.568 788 HA3 GLY 102 2HA GLY 102 9.317 -11.012 -2.236 789 H GLN 103 H GLN 103 7.135 -10.636 -2.284 790 HA GLN 103 HA GLN 103 5.886 -10.550 -4.902 791 HB2 GLN 103 1HB GLN 103 4.021 -12.002 -4.049 792 HB3 GLN 103 2HB GLN 103 5.550 -12.846 -4.191 793 HG2 GLN 103 1HG GLN 103 5.320 -11.605 -1.552 794 HG3 GLN 103 2HG GLN 103 3.925 -12.616 -1.871 795 HE21 GLN 103 1HE2 GLN 103 4.098 -14.644 -1.333 796 HE22 GLN 103 2HE2 GLN 103 5.547 -15.587 -1.222 797 H PHE 104 H PHE 104 3.447 -9.817 -4.604 798 HA PHE 104 HA PHE 104 3.551 -7.566 -2.755 799 HB2 PHE 104 1HB PHE 104 1.747 -8.362 -5.119 800 HB3 PHE 104 2HB PHE 104 1.565 -6.862 -4.232 801 HD1 PHE 104 2HD PHE 104 4.256 -8.754 -6.008 802 HD2 PHE 104 1HD PHE 104 2.518 -4.980 -5.149 803 HE1 PHE 104 2HE PHE 104 5.904 -7.646 -7.543 804 HE2 PHE 104 1HE PHE 104 4.167 -3.872 -6.684 805 HZ PHE 104 HZ PHE 104 5.840 -5.218 -7.863 806 H SER 105 H SER 105 1.750 -7.053 -1.359 807 HA SER 105 HA SER 105 0.640 -9.353 -0.197 808 HB2 SER 105 1HB SER 105 -0.756 -7.431 1.027 809 HB3 SER 105 2HB SER 105 0.936 -7.702 1.392 810 HG SER 105 HG SER 105 -0.287 -5.506 0.208 811 H LYS 106 H LYS 106 -1.815 -9.561 0.230 812 HA LYS 106 HA LYS 106 -3.143 -9.781 -2.206 813 HB2 LYS 106 1HB LYS 106 -3.857 -10.076 0.679 814 HB3 LYS 106 2HB LYS 106 -5.173 -9.937 -0.471 815 HG2 LYS 106 1HG LYS 106 -2.871 -11.931 -0.726 816 HG3 LYS 106 2HG LYS 106 -4.441 -12.319 -0.051 817 HD2 LYS 106 1HD LYS 106 -4.722 -10.992 -2.653 818 HD3 LYS 106 2HD LYS 106 -3.696 -12.406 -2.782 819 HE2 LYS 106 1HE LYS 106 -6.254 -12.667 -1.202 820 HE3 LYS 106 2HE LYS 106 -6.377 -12.586 -2.948 821 HZ1 LYS 106 1HZ LYS 106 -4.812 -14.415 -3.075 822 HZ2 LYS 106 2HZ LYS 106 -4.727 -14.499 -1.446 823 HZ3 LYS 106 3HZ LYS 106 -6.131 -14.836 -2.209 824 H ASP 107 H ASP 107 -5.238 -8.695 -2.813 825 HA ASP 107 HA ASP 107 -4.792 -5.964 -2.987 826 HB2 ASP 107 1HB ASP 107 -7.227 -5.958 -3.836 827 HB3 ASP 107 2HB ASP 107 -6.094 -6.971 -4.709 828 H THR 108 H THR 108 -4.980 -4.573 -1.218 829 HA THR 108 HA THR 108 -6.205 -5.123 1.165 830 HB THR 108 HB THR 108 -6.197 -2.543 1.346 831 HG1 THR 108 1HG THR 108 -6.532 -2.100 -0.909 832 HG21 THR 108 1HG2 THR 108 -3.613 -2.488 0.514 833 HG22 THR 108 2HG2 THR 108 -4.089 -3.276 2.037 834 HG23 THR 108 3HG2 THR 108 -3.840 -4.252 0.570 835 H GLU 109 H GLU 109 -8.192 -4.719 2.153 836 HA GLU 109 HA GLU 109 -10.396 -5.364 0.867 837 HB2 GLU 109 1HB GLU 109 -9.780 -4.299 3.391 838 HB3 GLU 109 2HB GLU 109 -10.992 -3.197 2.767 839 HG2 GLU 109 1HG GLU 109 -12.396 -5.271 2.161 840 HG3 GLU 109 2HG GLU 109 -11.242 -6.221 3.077 841 H ARG 110 H ARG 110 -11.764 -4.545 -0.681 842 HA ARG 110 HA ARG 110 -11.146 -2.583 -2.308 843 HB2 ARG 110 1HB ARG 110 -13.349 -4.192 -1.981 844 HB3 ARG 110 2HB ARG 110 -14.064 -2.634 -1.618 845 HG2 ARG 110 1HG ARG 110 -12.816 -1.846 -3.824 846 HG3 ARG 110 2HG ARG 110 -12.755 -3.558 -4.190 847 HD2 ARG 110 1HD ARG 110 -15.414 -3.164 -3.353 848 HD3 ARG 110 2HD ARG 110 -15.056 -1.714 -4.271 849 HE ARG 110 HE ARG 110 -14.158 -4.144 -5.624 850 HH11 ARG 110 2HH2 ARG 110 -16.918 -2.032 -5.070 851 HH12 ARG 110 1HH2 ARG 110 -17.732 -2.502 -6.525 852 HH21 ARG 110 2HH1 ARG 110 -15.232 -4.764 -7.544 853 HH22 ARG 110 1HH1 ARG 110 -16.766 -4.066 -7.942 854 H VAL 111 H VAL 111 -10.340 -0.589 -1.606 855 HA VAL 111 HA VAL 111 -11.842 0.847 0.431 856 HB VAL 111 HB VAL 111 -9.124 1.108 -0.826 857 HG11 VAL 111 1HG1 VAL 111 -10.602 3.187 0.810 858 HG12 VAL 111 2HG1 VAL 111 -8.829 3.149 0.654 859 HG13 VAL 111 3HG1 VAL 111 -9.845 3.377 -0.790 860 HG21 VAL 111 1HG2 VAL 111 -10.248 0.388 1.846 861 HG22 VAL 111 2HG2 VAL 111 -8.866 -0.298 0.959 862 HG23 VAL 111 3HG2 VAL 111 -8.696 1.258 1.807 863 H SER 112 H SER 112 -13.152 2.574 0.005 864 HA SER 112 HA SER 112 -13.092 3.520 -2.755 865 HB2 SER 112 1HB SER 112 -15.413 2.876 -0.925 866 HB3 SER 112 2HB SER 112 -15.616 4.094 -2.169 867 HG SER 112 HG SER 112 -15.703 2.568 -3.672 868 H LEU 113 H LEU 113 -13.224 5.795 -3.073 869 HA LEU 113 HA LEU 113 -12.605 7.333 -0.701 870 HB2 LEU 113 1HB LEU 113 -11.802 7.369 -3.378 871 HB3 LEU 113 2HB LEU 113 -12.777 8.813 -3.188 872 HG LEU 113 HG LEU 113 -11.092 8.762 -0.932 873 HD11 LEU 113 1HD1 LEU 113 -8.852 8.576 -1.830 874 HD12 LEU 113 2HD1 LEU 113 -9.734 7.052 -2.087 875 HD13 LEU 113 3HD1 LEU 113 -9.495 8.181 -3.442 876 HD21 LEU 113 1HD2 LEU 113 -10.016 10.523 -2.879 877 HD22 LEU 113 2HD2 LEU 113 -11.780 10.479 -3.114 878 HD23 LEU 113 3HD2 LEU 113 -11.104 10.897 -1.521 879 HA PRO 114 HA PRO 114 -16.522 9.102 -0.330 880 HB2 PRO 114 1HB PRO 114 -15.965 11.554 0.739 881 HB3 PRO 114 2HB PRO 114 -15.986 10.079 1.685 882 HG2 PRO 114 1HG PRO 114 -13.661 11.642 0.739 883 HG3 PRO 114 2HG PRO 114 -13.731 10.438 2.011 884 HD2 PRO 114 1HD PRO 114 -12.680 10.082 -0.634 885 HD3 PRO 114 2HD PRO 114 -12.856 8.849 0.599 886 H GLU 115 H GLU 115 -18.143 10.164 -1.405 887 HA GLU 115 HA GLU 115 -17.360 11.135 -3.900 888 HB2 GLU 115 1HB GLU 115 -19.637 10.100 -3.036 889 HB3 GLU 115 2HB GLU 115 -20.051 11.762 -2.666 890 HG2 GLU 115 1HG GLU 115 -19.426 12.357 -5.079 891 HG3 GLU 115 2HG GLU 115 -19.269 10.641 -5.395 892 H SER 116 H SER 116 -17.278 13.269 -4.749 893 HA SER 116 HA SER 116 -17.438 15.344 -2.706 894 HB2 SER 116 1HB SER 116 -15.555 16.500 -3.899 895 HB3 SER 116 2HB SER 116 -15.087 14.971 -3.182 896 HG SER 116 HG SER 116 -15.386 15.672 -5.928 897 H GLY 117 H GLY 117 -19.050 16.781 -3.199 898 HA2 GLY 117 1HA GLY 117 -20.060 18.377 -4.534 899 HA3 GLY 117 2HA GLY 117 -19.378 17.639 -5.970 900 HA PRO 118 HA PRO 118 -23.678 16.282 -5.866 901 HB2 PRO 118 1HB PRO 118 -24.277 16.850 -8.472 902 HB3 PRO 118 2HB PRO 118 -24.572 17.968 -7.155 903 HG2 PRO 118 1HG PRO 118 -22.445 18.041 -9.207 904 HG3 PRO 118 2HG PRO 118 -23.014 19.334 -8.169 905 HD2 PRO 118 1HD PRO 118 -20.598 17.819 -7.857 906 HD3 PRO 118 2HD PRO 118 -21.225 19.030 -6.757 907 H SER 119 H SER 119 -24.758 14.413 -6.661 908 HA SER 119 HA SER 119 -22.913 12.415 -7.231 909 HB2 SER 119 1HB SER 119 -25.834 12.663 -6.887 910 HB3 SER 119 2HB SER 119 -25.399 11.409 -8.030 911 HG SER 119 HG SER 119 -25.514 10.897 -5.595 912 H SER 120 H SER 120 -21.885 12.000 -9.150 913 HA SER 120 HA SER 120 -23.261 12.895 -11.558 914 HB2 SER 120 1HB SER 120 -20.992 13.923 -10.943 915 HB3 SER 120 2HB SER 120 -20.280 12.351 -11.246 916 HG SER 120 HG SER 120 -21.250 12.480 -13.442 917 H GLY 121 H GLY 121 -24.058 11.282 -12.854 918 HA2 GLY 121 1HA GLY 121 -23.380 9.311 -14.151 919 HA3 GLY 121 2HA GLY 121 -22.770 8.624 -12.659 Start of MODEL 2 1 H1 GLY 1 H GLY 1 3.050 -20.727 -17.010 2 HA2 GLY 1 1HA GLY 1 5.422 -19.702 -18.455 3 HA3 GLY 1 2HA GLY 1 4.873 -19.078 -16.913 4 H SER 2 H SER 2 7.369 -19.793 -16.686 5 HA SER 2 HA SER 2 7.229 -22.416 -15.434 6 HB2 SER 2 1HB SER 2 9.235 -21.395 -17.440 7 HB3 SER 2 2HB SER 2 9.805 -22.464 -16.174 8 HG SER 2 HG SER 2 8.342 -23.061 -18.440 9 H SER 3 H SER 3 9.317 -22.674 -13.927 10 HA SER 3 HA SER 3 10.183 -20.124 -12.914 11 HB2 SER 3 1HB SER 3 8.000 -20.838 -11.717 12 HB3 SER 3 2HB SER 3 8.936 -22.136 -11.003 13 HG SER 3 HG SER 3 9.901 -19.436 -10.837 14 H GLY 4 H GLY 4 12.347 -20.273 -12.397 15 HA2 GLY 4 1HA GLY 4 13.703 -22.758 -12.690 16 HA3 GLY 4 2HA GLY 4 14.387 -21.217 -12.212 17 H SER 5 H SER 5 14.315 -20.553 -9.936 18 HA SER 5 HA SER 5 14.518 -20.889 -7.803 19 HB2 SER 5 1HB SER 5 12.325 -22.891 -8.391 20 HB3 SER 5 2HB SER 5 12.997 -22.793 -6.776 21 HG SER 5 HG SER 5 11.860 -20.569 -8.247 22 H SER 6 H SER 6 16.530 -21.608 -7.198 23 HA SER 6 HA SER 6 17.113 -24.407 -7.760 24 HB2 SER 6 1HB SER 6 18.596 -22.008 -8.257 25 HB3 SER 6 2HB SER 6 19.464 -22.885 -7.013 26 HG SER 6 HG SER 6 18.516 -24.403 -9.224 27 H GLY 7 H GLY 7 18.047 -25.715 -6.069 28 HA2 GLY 7 1HA GLY 7 17.366 -24.783 -3.394 29 HA3 GLY 7 2HA GLY 7 17.777 -26.413 -3.889 30 H ARG 8 H ARG 8 20.138 -26.757 -4.651 31 HA ARG 8 HA ARG 8 22.240 -26.777 -4.157 32 HB2 ARG 8 1HB ARG 8 21.919 -23.766 -3.706 33 HB3 ARG 8 2HB ARG 8 23.451 -24.585 -3.932 34 HG2 ARG 8 1HG ARG 8 21.699 -25.373 -6.090 35 HG3 ARG 8 2HG ARG 8 21.626 -23.627 -5.948 36 HD2 ARG 8 1HD ARG 8 23.860 -23.340 -6.526 37 HD3 ARG 8 2HD ARG 8 24.365 -24.840 -5.774 38 HE ARG 8 HE ARG 8 23.374 -24.502 -8.523 39 HH11 ARG 8 2HH2 ARG 8 24.021 -26.777 -5.918 40 HH12 ARG 8 1HH2 ARG 8 24.118 -28.150 -6.969 41 HH21 ARG 8 2HH1 ARG 8 23.502 -26.314 -9.910 42 HH22 ARG 8 1HH1 ARG 8 23.821 -27.885 -9.255 43 H SER 9 H SER 9 23.962 -26.332 -2.346 44 HA SER 9 HA SER 9 22.520 -26.373 0.181 45 HB2 SER 9 1HB SER 9 25.300 -27.447 -0.474 46 HB3 SER 9 2HB SER 9 24.479 -27.616 1.065 47 HG SER 9 HG SER 9 24.033 -29.524 0.030 48 H ALA 10 H ALA 10 23.348 -25.135 1.994 49 HA ALA 10 HA ALA 10 25.686 -23.612 1.868 50 HB1 ALA 10 1HB ALA 10 23.996 -21.416 1.806 51 HB2 ALA 10 2HB ALA 10 25.026 -21.968 0.463 52 HB3 ALA 10 3HB ALA 10 23.320 -22.469 0.540 53 H HIS 11 H HIS 11 25.786 -22.061 3.765 54 HA HIS 11 HA HIS 11 23.711 -22.614 5.730 55 HB2 HIS 11 1HB HIS 11 25.856 -22.766 7.342 56 HB3 HIS 11 2HB HIS 11 25.060 -24.163 6.646 57 HD1 HIS 11 1HD HIS 11 26.416 -25.630 5.074 58 HD2 HIS 11 2HD HIS 11 28.299 -21.984 5.941 59 HE1 HIS 11 1HE HIS 11 28.772 -25.795 4.108 60 H LEU 12 H LEU 12 24.744 -21.251 7.901 61 HA LEU 12 HA LEU 12 24.942 -19.217 8.732 62 HB2 LEU 12 1HB LEU 12 26.820 -19.168 6.426 63 HB3 LEU 12 2HB LEU 12 26.442 -17.636 7.190 64 HG LEU 12 HG LEU 12 27.358 -20.000 8.824 65 HD11 LEU 12 1HD1 LEU 12 28.919 -19.331 6.831 66 HD12 LEU 12 2HD1 LEU 12 29.317 -17.942 7.869 67 HD13 LEU 12 3HD1 LEU 12 29.594 -19.599 8.456 68 HD21 LEU 12 1HD2 LEU 12 27.343 -18.594 10.548 69 HD22 LEU 12 2HD2 LEU 12 28.214 -17.339 9.634 70 HD23 LEU 12 3HD2 LEU 12 26.444 -17.466 9.505 71 H ARG 13 H ARG 13 24.752 -16.653 7.948 72 HA ARG 13 HA ARG 13 22.143 -16.340 7.374 73 HB2 ARG 13 1HB ARG 13 24.521 -14.495 6.874 74 HB3 ARG 13 2HB ARG 13 22.875 -13.957 6.606 75 HG2 ARG 13 1HG ARG 13 22.598 -13.577 8.823 76 HG3 ARG 13 2HG ARG 13 22.969 -15.250 9.186 77 HD2 ARG 13 1HD ARG 13 25.139 -14.779 9.792 78 HD3 ARG 13 2HD ARG 13 25.360 -13.621 8.495 79 HE ARG 13 HE ARG 13 23.561 -12.394 10.264 80 HH11 ARG 13 2HH2 ARG 13 26.839 -13.660 10.449 81 HH12 ARG 13 1HH2 ARG 13 27.331 -12.558 11.692 82 HH21 ARG 13 2HH1 ARG 13 24.209 -10.940 11.904 83 HH22 ARG 13 1HH1 ARG 13 25.825 -11.000 12.525 84 H VAL 14 H VAL 14 20.995 -16.955 5.567 85 HA VAL 14 HA VAL 14 22.400 -16.916 3.002 86 HB VAL 14 HB VAL 14 21.275 -18.990 3.956 87 HG11 VAL 14 1HG1 VAL 14 19.229 -17.879 4.775 88 HG12 VAL 14 2HG1 VAL 14 18.765 -17.512 3.097 89 HG13 VAL 14 3HG1 VAL 14 18.862 -19.203 3.643 90 HG21 VAL 14 1HG2 VAL 14 21.299 -19.742 1.849 91 HG22 VAL 14 2HG2 VAL 14 19.940 -18.692 1.382 92 HG23 VAL 14 3HG2 VAL 14 21.605 -18.063 1.345 93 H ARG 15 H ARG 15 21.943 -15.390 1.491 94 HA ARG 15 HA ARG 15 19.969 -13.457 2.199 95 HB2 ARG 15 1HB ARG 15 22.055 -13.694 -0.002 96 HB3 ARG 15 2HB ARG 15 20.828 -12.446 -0.088 97 HG2 ARG 15 1HG ARG 15 21.516 -11.696 2.244 98 HG3 ARG 15 2HG ARG 15 22.824 -12.860 2.186 99 HD2 ARG 15 1HD ARG 15 22.710 -11.127 -0.218 100 HD3 ARG 15 2HD ARG 15 22.957 -10.226 1.265 101 HE ARG 15 HE ARG 15 24.872 -11.987 -0.012 102 HH11 ARG 15 2HH2 ARG 15 23.807 -10.832 3.137 103 HH12 ARG 15 1HH2 ARG 15 25.341 -11.102 3.897 104 HH21 ARG 15 2HH1 ARG 15 26.895 -12.343 0.990 105 HH22 ARG 15 1HH1 ARG 15 27.108 -11.967 2.667 106 H GLN 16 H GLN 16 17.895 -14.374 1.873 107 HA GLN 16 HA GLN 16 17.420 -15.448 -0.789 108 HB2 GLN 16 1HB GLN 16 15.416 -16.519 0.196 109 HB3 GLN 16 2HB GLN 16 16.870 -16.978 1.059 110 HG2 GLN 16 1HG GLN 16 15.385 -14.554 2.052 111 HG3 GLN 16 2HG GLN 16 14.647 -16.118 2.335 112 HE21 GLN 16 1HE2 GLN 16 15.962 -17.791 3.349 113 HE22 GLN 16 2HE2 GLN 16 17.133 -17.354 4.549 114 H LEU 17 H LEU 17 14.825 -15.084 -1.311 115 HA LEU 17 HA LEU 17 14.625 -12.208 -1.495 116 HB2 LEU 17 1HB LEU 17 13.261 -14.549 -2.776 117 HB3 LEU 17 2HB LEU 17 12.522 -12.961 -2.845 118 HG LEU 17 HG LEU 17 15.255 -13.718 -3.912 119 HD11 LEU 17 1HD1 LEU 17 13.694 -14.594 -5.410 120 HD12 LEU 17 2HD1 LEU 17 12.585 -13.216 -5.214 121 HD13 LEU 17 3HD1 LEU 17 14.112 -13.009 -6.104 122 HD21 LEU 17 1HD2 LEU 17 13.867 -11.043 -3.734 123 HD22 LEU 17 2HD2 LEU 17 15.493 -11.496 -3.171 124 HD23 LEU 17 3HD2 LEU 17 15.155 -11.380 -4.915 125 HA PRO 18 HA PRO 18 11.831 -11.895 1.792 126 HB2 PRO 18 1HB PRO 18 10.882 -9.371 1.347 127 HB3 PRO 18 2HB PRO 18 12.405 -9.694 2.151 128 HG2 PRO 18 1HG PRO 18 11.931 -8.727 -0.602 129 HG3 PRO 18 2HG PRO 18 13.400 -8.652 0.350 130 HD2 PRO 18 1HD PRO 18 12.831 -10.479 -1.787 131 HD3 PRO 18 2HD PRO 18 14.250 -10.478 -0.760 132 H HIS 19 H HIS 19 9.556 -11.668 2.433 133 HA HIS 19 HA HIS 19 7.967 -12.574 0.161 134 HB2 HIS 19 1HB HIS 19 8.137 -13.291 2.976 135 HB3 HIS 19 2HB HIS 19 6.491 -12.898 2.523 136 HD1 HIS 19 1HD HIS 19 5.185 -14.810 1.592 137 HD2 HIS 19 2HD HIS 19 9.311 -15.283 0.995 138 HE1 HIS 19 1HE HIS 19 5.492 -17.095 0.498 139 H ALA 20 H ALA 20 5.577 -11.854 0.229 140 HA ALA 20 HA ALA 20 5.537 -9.044 0.103 141 HB1 ALA 20 1HB ALA 20 3.940 -11.251 -0.707 142 HB2 ALA 20 2HB ALA 20 2.897 -10.207 0.288 143 HB3 ALA 20 3HB ALA 20 3.729 -9.536 -1.135 144 HA PRO 21 HA PRO 21 4.261 -7.962 4.091 145 HB2 PRO 21 1HB PRO 21 2.541 -5.876 3.690 146 HB3 PRO 21 2HB PRO 21 4.284 -5.710 3.609 147 HG2 PRO 21 1HG PRO 21 2.324 -5.778 1.397 148 HG3 PRO 21 2HG PRO 21 3.978 -5.199 1.381 149 HD2 PRO 21 1HD PRO 21 3.021 -7.687 0.323 150 HD3 PRO 21 2HD PRO 21 4.689 -7.159 0.411 151 H GLU 22 H GLU 22 2.553 -7.774 5.761 152 HA GLU 22 HA GLU 22 0.306 -9.393 4.839 153 HB2 GLU 22 1HB GLU 22 2.121 -9.673 7.163 154 HB3 GLU 22 2HB GLU 22 0.425 -9.793 7.587 155 HG2 GLU 22 1HG GLU 22 0.517 -11.342 5.291 156 HG3 GLU 22 2HG GLU 22 2.106 -11.640 5.967 157 H HIS 23 H HIS 23 -1.537 -9.186 6.774 158 HA HIS 23 HA HIS 23 -3.223 -7.798 7.226 159 HB2 HIS 23 1HB HIS 23 -1.114 -7.610 9.063 160 HB3 HIS 23 2HB HIS 23 -1.649 -5.956 8.837 161 HD1 HIS 23 1HD HIS 23 -4.494 -5.776 8.969 162 HD2 HIS 23 2HD HIS 23 -2.544 -8.887 10.997 163 HE1 HIS 23 1HE HIS 23 -6.125 -6.601 10.750 164 HA PRO 24 HA PRO 24 -1.899 -4.473 4.345 165 HB2 PRO 24 1HB PRO 24 -3.114 -5.328 2.052 166 HB3 PRO 24 2HB PRO 24 -1.424 -5.623 2.408 167 HG2 PRO 24 1HG PRO 24 -3.698 -7.508 2.521 168 HG3 PRO 24 2HG PRO 24 -1.982 -7.860 2.453 169 HD2 PRO 24 1HD PRO 24 -3.675 -8.006 4.765 170 HD3 PRO 24 2HD PRO 24 -1.939 -8.245 4.720 171 H VAL 25 H VAL 25 -3.182 -3.258 5.836 172 HA VAL 25 HA VAL 25 -6.001 -3.221 5.080 173 HB VAL 25 HB VAL 25 -4.825 -1.644 7.333 174 HG11 VAL 25 1HG1 VAL 25 -7.464 -2.731 6.520 175 HG12 VAL 25 2HG1 VAL 25 -7.101 -2.785 8.262 176 HG13 VAL 25 3HG1 VAL 25 -7.054 -1.234 7.391 177 HG21 VAL 25 1HG2 VAL 25 -5.051 -4.645 7.202 178 HG22 VAL 25 2HG2 VAL 25 -3.747 -3.635 7.872 179 HG23 VAL 25 3HG2 VAL 25 -5.292 -3.788 8.743 180 H ALA 26 H ALA 26 -6.926 -1.525 3.995 181 HA ALA 26 HA ALA 26 -5.290 0.887 3.686 182 HB1 ALA 26 1HB ALA 26 -4.948 -0.504 1.692 183 HB2 ALA 26 2HB ALA 26 -6.708 -0.655 1.475 184 HB3 ALA 26 3HB ALA 26 -5.920 0.929 1.284 185 H THR 27 H THR 27 -6.471 2.398 4.766 186 HA THR 27 HA THR 27 -9.329 2.545 4.085 187 HB THR 27 HB THR 27 -9.303 3.440 6.658 188 HG1 THR 27 1HG THR 27 -7.712 2.081 7.758 189 HG21 THR 27 1HG2 THR 27 -10.018 1.215 7.391 190 HG22 THR 27 2HG2 THR 27 -10.649 1.466 5.746 191 HG23 THR 27 3HG2 THR 27 -9.209 0.451 6.002 192 H LEU 28 H LEU 28 -10.274 4.713 4.364 193 HA LEU 28 HA LEU 28 -8.882 6.615 3.008 194 HB2 LEU 28 1HB LEU 28 -11.321 6.458 4.587 195 HB3 LEU 28 2HB LEU 28 -10.585 8.046 4.675 196 HG LEU 28 HG LEU 28 -11.418 6.580 2.158 197 HD11 LEU 28 1HD1 LEU 28 -12.560 9.221 2.679 198 HD12 LEU 28 2HD1 LEU 28 -13.350 7.693 2.222 199 HD13 LEU 28 3HD1 LEU 28 -12.968 8.021 3.929 200 HD21 LEU 28 1HD2 LEU 28 -10.749 9.368 1.775 201 HD22 LEU 28 2HD2 LEU 28 -9.358 8.462 2.418 202 HD23 LEU 28 3HD2 LEU 28 -10.156 7.923 0.920 203 H SER 29 H SER 29 -8.394 8.943 4.009 204 HA SER 29 HA SER 29 -6.507 8.388 6.150 205 HB2 SER 29 1HB SER 29 -6.172 9.663 3.687 206 HB3 SER 29 2HB SER 29 -6.302 11.009 4.801 207 HG SER 29 HG SER 29 -4.519 8.761 5.198 208 H THR 30 H THR 30 -9.355 10.259 5.184 209 HA THR 30 HA THR 30 -10.610 11.776 6.233 210 HB THR 30 HB THR 30 -11.298 11.073 8.414 211 HG1 THR 30 1HG THR 30 -9.543 11.033 9.770 212 HG21 THR 30 1HG2 THR 30 -9.765 8.578 7.585 213 HG22 THR 30 2HG2 THR 30 -11.362 8.689 8.364 214 HG23 THR 30 3HG2 THR 30 -11.177 9.119 6.646 215 H VAL 31 H VAL 31 -7.799 12.509 5.663 216 HA VAL 31 HA VAL 31 -7.772 14.835 7.375 217 HB VAL 31 HB VAL 31 -5.419 14.544 7.984 218 HG11 VAL 31 1HG1 VAL 31 -5.744 12.956 9.772 219 HG12 VAL 31 2HG1 VAL 31 -7.271 13.833 9.508 220 HG13 VAL 31 3HG1 VAL 31 -7.081 12.173 8.895 221 HG21 VAL 31 1HG2 VAL 31 -5.745 11.876 6.594 222 HG22 VAL 31 2HG2 VAL 31 -4.523 13.139 6.307 223 HG23 VAL 31 3HG2 VAL 31 -4.473 12.174 7.802 224 H GLU 32 H GLU 32 -5.925 12.942 4.882 225 HA GLU 32 HA GLU 32 -5.355 15.449 3.566 226 HB2 GLU 32 1HB GLU 32 -4.106 12.798 3.708 227 HB3 GLU 32 2HB GLU 32 -4.246 13.347 2.050 228 HG2 GLU 32 1HG GLU 32 -2.557 14.833 2.338 229 HG3 GLU 32 2HG GLU 32 -3.384 15.577 3.692 230 H ARG 33 H ARG 33 -6.592 16.189 1.895 231 HA ARG 33 HA ARG 33 -8.857 14.943 1.097 232 HB2 ARG 33 1HB ARG 33 -7.092 16.962 -0.367 233 HB3 ARG 33 2HB ARG 33 -8.674 16.499 -0.962 234 HG2 ARG 33 1HG ARG 33 -8.613 17.265 1.919 235 HG3 ARG 33 2HG ARG 33 -8.213 18.564 0.813 236 HD2 ARG 33 1HD ARG 33 -10.354 17.783 -0.517 237 HD3 ARG 33 2HD ARG 33 -10.780 16.946 0.963 238 HE ARG 33 HE ARG 33 -10.183 19.463 1.888 239 HH11 ARG 33 2HH2 ARG 33 -12.254 18.321 -0.717 240 HH12 ARG 33 1HH2 ARG 33 -13.356 19.653 -0.597 241 HH21 ARG 33 2HH1 ARG 33 -11.636 21.220 2.048 242 HH22 ARG 33 1HH1 ARG 33 -13.001 21.313 0.986 243 H ARG 34 H ARG 34 -9.348 13.279 -0.328 244 HA ARG 34 HA ARG 34 -9.065 11.622 -1.687 245 HB2 ARG 34 1HB ARG 34 -7.020 13.306 -3.207 246 HB3 ARG 34 2HB ARG 34 -8.060 12.058 -3.865 247 HG2 ARG 34 1HG ARG 34 -9.304 14.461 -2.500 248 HG3 ARG 34 2HG ARG 34 -8.711 14.617 -4.142 249 HD2 ARG 34 1HD ARG 34 -10.682 13.736 -4.853 250 HD3 ARG 34 2HD ARG 34 -10.171 12.201 -4.179 251 HE ARG 34 HE ARG 34 -11.762 12.486 -2.504 252 HH11 ARG 34 2HH2 ARG 34 -10.853 15.660 -3.722 253 HH12 ARG 34 1HH2 ARG 34 -11.986 16.509 -2.724 254 HH21 ARG 34 2HH1 ARG 34 -13.257 13.605 -1.187 255 HH22 ARG 34 1HH1 ARG 34 -13.363 15.332 -1.272 256 H ALA 35 H ALA 35 -7.627 11.166 0.563 257 HA ALA 35 HA ALA 35 -5.199 9.902 -0.472 258 HB1 ALA 35 1HB ALA 35 -3.993 10.605 1.575 259 HB2 ALA 35 2HB ALA 35 -4.516 12.005 0.609 260 HB3 ALA 35 3HB ALA 35 -5.413 11.553 2.079 261 H ILE 36 H ILE 36 -4.499 8.048 0.878 262 HA ILE 36 HA ILE 36 -6.634 7.067 2.625 263 HB ILE 36 HB ILE 36 -5.357 5.594 0.323 264 HG12 ILE 36 1HG1 ILE 36 -8.221 6.365 0.946 265 HG13 ILE 36 2HG1 ILE 36 -7.215 7.005 -0.338 266 HG21 ILE 36 1HG2 ILE 36 -5.582 4.313 2.562 267 HG22 ILE 36 2HG2 ILE 36 -7.329 4.353 2.225 268 HG23 ILE 36 3HG2 ILE 36 -6.219 3.574 1.073 269 HD11 ILE 36 1HD1 ILE 36 -7.686 4.018 -0.164 270 HD12 ILE 36 2HD1 ILE 36 -8.922 5.078 -0.884 271 HD13 ILE 36 3HD1 ILE 36 -7.289 5.008 -1.589 272 H ASN 37 H ASN 37 -5.914 5.673 4.323 273 HA ASN 37 HA ASN 37 -3.120 6.109 4.888 274 HB2 ASN 37 1HB ASN 37 -5.527 5.982 6.446 275 HB3 ASN 37 2HB ASN 37 -4.553 4.616 6.950 276 HD21 ASN 37 1HD2 ASN 37 -5.261 7.656 7.691 277 HD22 ASN 37 2HD2 ASN 37 -3.786 8.223 8.400 278 H LEU 38 H LEU 38 -1.848 4.488 3.919 279 HA LEU 38 HA LEU 38 -2.895 1.795 3.771 280 HB2 LEU 38 1HB LEU 38 -1.364 3.315 2.105 281 HB3 LEU 38 2HB LEU 38 -0.136 2.353 2.904 282 HG LEU 38 HG LEU 38 -1.258 1.542 0.674 283 HD11 LEU 38 1HD1 LEU 38 0.399 0.375 2.304 284 HD12 LEU 38 2HD1 LEU 38 -1.026 -0.571 2.797 285 HD13 LEU 38 3HD1 LEU 38 -0.485 -0.596 1.102 286 HD21 LEU 38 1HD2 LEU 38 -3.153 0.160 2.551 287 HD22 LEU 38 2HD2 LEU 38 -3.569 1.744 1.853 288 HD23 LEU 38 3HD2 LEU 38 -3.241 0.359 0.784 289 H THR 39 H THR 39 -2.415 0.166 5.162 290 HA THR 39 HA THR 39 -0.047 0.466 6.852 291 HB THR 39 HB THR 39 -1.466 -0.092 8.856 292 HG1 THR 39 1HG THR 39 -3.848 0.178 8.328 293 HG21 THR 39 1HG2 THR 39 -2.540 2.054 9.140 294 HG22 THR 39 2HG2 THR 39 -1.114 2.373 8.124 295 HG23 THR 39 3HG2 THR 39 -2.729 2.267 7.383 296 H TRP 40 H TRP 40 1.133 -1.342 6.897 297 HA TRP 40 HA TRP 40 -0.272 -3.876 6.519 298 HB2 TRP 40 1HB TRP 40 1.329 -4.634 4.876 299 HB3 TRP 40 2HB TRP 40 0.455 -3.230 4.298 300 HD1 TRP 40 HD TRP 40 3.987 -4.398 5.066 301 HE1 TRP 40 1HE TRP 40 5.792 -2.582 4.428 302 HE3 TRP 40 3HE TRP 40 0.671 -0.634 4.231 303 HZ2 TRP 40 2HZ TRP 40 5.635 0.163 3.663 304 HZ3 TRP 40 3HZ TRP 40 1.580 1.583 3.542 305 HH2 TRP 40 HH TRP 40 3.969 2.012 3.255 306 H THR 41 H THR 41 1.384 -5.733 7.028 307 HA THR 41 HA THR 41 2.824 -4.899 9.431 308 HB THR 41 HB THR 41 1.690 -7.503 8.330 309 HG1 THR 41 1HG THR 41 0.370 -6.037 9.621 310 HG21 THR 41 1HG2 THR 41 2.589 -8.626 10.354 311 HG22 THR 41 2HG2 THR 41 3.933 -8.033 9.349 312 HG23 THR 41 3HG2 THR 41 3.453 -7.138 10.810 313 H LYS 42 H LYS 42 4.976 -5.759 9.896 314 HA LYS 42 HA LYS 42 6.632 -5.441 7.582 315 HB2 LYS 42 1HB LYS 42 6.952 -4.688 10.113 316 HB3 LYS 42 2HB LYS 42 7.709 -6.261 10.251 317 HG2 LYS 42 1HG LYS 42 8.486 -4.547 7.897 318 HG3 LYS 42 2HG LYS 42 9.085 -4.073 9.474 319 HD2 LYS 42 1HD LYS 42 10.217 -6.180 9.796 320 HD3 LYS 42 2HD LYS 42 9.362 -6.932 8.464 321 HE2 LYS 42 1HE LYS 42 11.643 -6.376 7.747 322 HE3 LYS 42 2HE LYS 42 10.503 -5.386 6.857 323 HZ1 LYS 42 1HZ LYS 42 11.129 -3.541 7.977 324 HZ2 LYS 42 2HZ LYS 42 11.547 -4.329 9.345 325 HZ3 LYS 42 3HZ LYS 42 12.545 -4.351 8.053 326 HA PRO 43 HA PRO 43 6.574 -9.757 6.827 327 HB2 PRO 43 1HB PRO 43 7.717 -9.662 4.346 328 HB3 PRO 43 2HB PRO 43 5.995 -9.482 4.616 329 HG2 PRO 43 1HG PRO 43 7.995 -7.407 3.957 330 HG3 PRO 43 2HG PRO 43 6.250 -7.335 3.813 331 HD2 PRO 43 1HD PRO 43 7.855 -6.120 5.856 332 HD3 PRO 43 2HD PRO 43 6.105 -6.146 5.775 333 H PHE 44 H PHE 44 8.243 -11.460 5.991 334 HA PHE 44 HA PHE 44 10.543 -10.953 7.657 335 HB2 PHE 44 1HB PHE 44 9.397 -13.136 7.744 336 HB3 PHE 44 2HB PHE 44 9.419 -13.278 5.997 337 HD1 PHE 44 2HD PHE 44 11.805 -13.353 4.903 338 HD2 PHE 44 1HD PHE 44 11.024 -14.225 8.982 339 HE1 PHE 44 2HE PHE 44 13.948 -14.652 5.035 340 HE2 PHE 44 1HE PHE 44 13.167 -15.525 9.114 341 HZ PHE 44 HZ PHE 44 14.604 -15.723 7.139 342 H ASP 45 H ASP 45 12.547 -10.361 6.947 343 HA ASP 45 HA ASP 45 12.835 -9.996 4.117 344 HB2 ASP 45 1HB ASP 45 14.682 -8.607 4.653 345 HB3 ASP 45 2HB ASP 45 13.558 -8.336 5.970 346 H GLY 46 H GLY 46 14.813 -10.840 2.966 347 HA2 GLY 46 1HA GLY 46 15.397 -13.554 3.734 348 HA3 GLY 46 2HA GLY 46 15.941 -12.700 2.304 349 H ASN 47 H ASN 47 16.339 -12.360 5.911 350 HA ASN 47 HA ASN 47 18.149 -12.352 7.137 351 HB2 ASN 47 1HB ASN 47 19.152 -13.602 4.777 352 HB3 ASN 47 2HB ASN 47 20.306 -12.335 5.143 353 HD21 ASN 47 1HD2 ASN 47 19.443 -15.467 5.718 354 HD22 ASN 47 2HD2 ASN 47 20.289 -15.780 7.197 355 H SER 48 H SER 48 18.486 -10.664 3.943 356 HA SER 48 HA SER 48 19.909 -8.514 5.214 357 HB2 SER 48 1HB SER 48 19.759 -9.605 2.574 358 HB3 SER 48 2HB SER 48 19.164 -7.960 2.464 359 HG SER 48 HG SER 48 21.137 -7.187 2.836 360 HA PRO 49 HA PRO 49 16.380 -5.996 5.598 361 HB2 PRO 49 1HB PRO 49 17.475 -3.492 5.581 362 HB3 PRO 49 2HB PRO 49 17.476 -4.528 6.994 363 HG2 PRO 49 1HG PRO 49 19.711 -3.875 5.173 364 HG3 PRO 49 2HG PRO 49 19.773 -4.542 6.792 365 HD2 PRO 49 1HD PRO 49 20.150 -5.969 4.333 366 HD3 PRO 49 2HD PRO 49 20.096 -6.654 5.945 367 H LEU 50 H LEU 50 14.692 -5.396 4.374 368 HA LEU 50 HA LEU 50 14.948 -5.412 1.645 369 HB2 LEU 50 1HB LEU 50 12.851 -3.807 3.081 370 HB3 LEU 50 2HB LEU 50 12.721 -4.676 1.565 371 HG LEU 50 HG LEU 50 11.569 -6.091 2.932 372 HD11 LEU 50 1HD1 LEU 50 13.480 -7.317 1.933 373 HD12 LEU 50 2HD1 LEU 50 14.382 -7.089 3.450 374 HD13 LEU 50 3HD1 LEU 50 12.882 -8.046 3.443 375 HD21 LEU 50 1HD2 LEU 50 13.144 -6.303 5.345 376 HD22 LEU 50 2HD2 LEU 50 12.743 -4.603 5.000 377 HD23 LEU 50 3HD2 LEU 50 11.446 -5.814 5.130 378 H ILE 51 H ILE 51 14.840 -3.704 0.023 379 HA ILE 51 HA ILE 51 16.403 -1.405 0.894 380 HB ILE 51 HB ILE 51 15.940 -2.815 -1.700 381 HG12 ILE 51 1HG1 ILE 51 18.461 -1.785 -0.366 382 HG13 ILE 51 2HG1 ILE 51 17.823 -3.405 -0.159 383 HG21 ILE 51 1HG2 ILE 51 15.581 -0.753 -2.615 384 HG22 ILE 51 2HG2 ILE 51 16.496 0.099 -1.349 385 HG23 ILE 51 3HG2 ILE 51 17.360 -0.785 -2.629 386 HD11 ILE 51 1HD1 ILE 51 19.416 -3.634 -1.906 387 HD12 ILE 51 2HD1 ILE 51 17.858 -3.559 -2.762 388 HD13 ILE 51 3HD1 ILE 51 18.903 -2.120 -2.690 389 H ARG 52 H ARG 52 13.453 -2.192 -1.072 390 HA ARG 52 HA ARG 52 12.209 0.118 0.046 391 HB2 ARG 52 1HB ARG 52 11.698 1.208 -2.098 392 HB3 ARG 52 2HB ARG 52 13.436 1.046 -1.943 393 HG2 ARG 52 1HG ARG 52 13.398 -0.992 -3.367 394 HG3 ARG 52 2HG ARG 52 11.652 -0.902 -3.479 395 HD2 ARG 52 1HD ARG 52 12.131 0.242 -5.427 396 HD3 ARG 52 2HD ARG 52 12.237 1.610 -4.337 397 HE ARG 52 HE ARG 52 14.776 0.211 -4.507 398 HH11 ARG 52 2HH2 ARG 52 12.717 2.510 -6.199 399 HH12 ARG 52 1HH2 ARG 52 14.031 3.262 -7.041 400 HH21 ARG 52 2HH1 ARG 52 16.510 1.203 -5.618 401 HH22 ARG 52 1HH1 ARG 52 16.203 2.514 -6.708 402 H TYR 53 H TYR 53 9.898 0.321 -1.382 403 HA TYR 53 HA TYR 53 8.967 -2.419 -1.850 404 HB2 TYR 53 1HB TYR 53 8.033 -0.222 0.057 405 HB3 TYR 53 2HB TYR 53 6.828 -1.308 -0.605 406 HD1 TYR 53 2HD TYR 53 10.183 -1.489 1.078 407 HD2 TYR 53 1HD TYR 53 6.286 -3.198 0.626 408 HE1 TYR 53 2HE TYR 53 10.711 -3.191 2.892 409 HE2 TYR 53 1HE TYR 53 6.827 -4.894 2.442 410 HH TYR 53 HH TYR 53 8.230 -5.432 4.037 411 H ILE 54 H ILE 54 7.633 -2.621 -3.611 412 HA ILE 54 HA ILE 54 7.021 -0.134 -5.010 413 HB ILE 54 HB ILE 54 7.014 -3.007 -5.942 414 HG12 ILE 54 1HG1 ILE 54 9.017 -0.768 -6.339 415 HG13 ILE 54 2HG1 ILE 54 9.263 -2.252 -5.440 416 HG21 ILE 54 1HG2 ILE 54 7.131 -1.393 -8.173 417 HG22 ILE 54 2HG2 ILE 54 5.691 -2.250 -7.572 418 HG23 ILE 54 3HG2 ILE 54 5.963 -0.547 -7.128 419 HD11 ILE 54 1HD1 ILE 54 9.916 -3.297 -7.335 420 HD12 ILE 54 2HD1 ILE 54 8.322 -2.981 -8.061 421 HD13 ILE 54 3HD1 ILE 54 9.637 -1.798 -8.253 422 H LEU 55 H LEU 55 5.154 0.723 -4.176 423 HA LEU 55 HA LEU 55 2.968 -1.088 -3.577 424 HB2 LEU 55 1HB LEU 55 3.368 0.530 -1.921 425 HB3 LEU 55 2HB LEU 55 3.507 1.830 -3.088 426 HG LEU 55 HG LEU 55 0.943 1.009 -3.549 427 HD11 LEU 55 1HD1 LEU 55 1.585 0.417 -0.663 428 HD12 LEU 55 2HD1 LEU 55 -0.051 0.882 -1.188 429 HD13 LEU 55 3HD1 LEU 55 0.714 -0.583 -1.850 430 HD21 LEU 55 1HD2 LEU 55 0.811 3.208 -3.273 431 HD22 LEU 55 2HD2 LEU 55 0.714 2.928 -1.518 432 HD23 LEU 55 3HD2 LEU 55 2.291 3.232 -2.284 433 H GLU 56 H GLU 56 1.496 -1.646 -5.080 434 HA GLU 56 HA GLU 56 1.219 0.186 -7.332 435 HB2 GLU 56 1HB GLU 56 1.239 -2.798 -7.097 436 HB3 GLU 56 2HB GLU 56 0.108 -2.125 -8.255 437 HG2 GLU 56 1HG GLU 56 2.013 -0.779 -9.255 438 HG3 GLU 56 2HG GLU 56 3.115 -1.591 -8.160 439 H MET 57 H MET 57 -0.716 1.230 -7.573 440 HA MET 57 HA MET 57 -2.869 0.311 -5.855 441 HB2 MET 57 1HB MET 57 -2.128 2.683 -5.625 442 HB3 MET 57 2HB MET 57 -2.372 2.951 -7.340 443 HG2 MET 57 1HG MET 57 -4.840 2.334 -6.986 444 HG3 MET 57 2HG MET 57 -4.525 2.341 -5.262 445 HE1 MET 57 1HE MET 57 -5.214 4.955 -8.382 446 HE2 MET 57 2HE MET 57 -3.705 5.842 -8.060 447 HE3 MET 57 3HE MET 57 -3.654 4.098 -8.410 448 H SER 58 H SER 58 -4.888 -0.309 -6.661 449 HA SER 58 HA SER 58 -5.124 -0.186 -9.565 450 HB2 SER 58 1HB SER 58 -4.816 -2.470 -9.314 451 HB3 SER 58 2HB SER 58 -5.448 -2.491 -7.679 452 HG SER 58 HG SER 58 -7.152 -1.983 -9.953 453 H GLU 59 H GLU 59 -6.614 1.478 -9.808 454 HA GLU 59 HA GLU 59 -8.571 2.046 -7.933 455 HB2 GLU 59 1HB GLU 59 -7.562 3.411 -9.990 456 HB3 GLU 59 2HB GLU 59 -8.942 2.751 -10.844 457 HG2 GLU 59 1HG GLU 59 -10.302 3.594 -8.715 458 HG3 GLU 59 2HG GLU 59 -8.908 4.627 -8.468 459 H ASN 60 H ASN 60 -10.781 2.336 -10.078 460 HA ASN 60 HA ASN 60 -12.100 -0.034 -9.383 461 HB2 ASN 60 1HB ASN 60 -12.675 2.401 -11.050 462 HB3 ASN 60 2HB ASN 60 -13.633 0.982 -11.423 463 HD21 ASN 60 1HD2 ASN 60 -13.789 3.718 -9.837 464 HD22 ASN 60 2HD2 ASN 60 -14.748 3.316 -8.451 465 H ASN 61 H ASN 61 -11.095 -1.910 -10.274 466 HA ASN 61 HA ASN 61 -10.632 -3.422 -11.759 467 HB2 ASN 61 1HB ASN 61 -12.730 -1.927 -13.018 468 HB3 ASN 61 2HB ASN 61 -11.532 -2.211 -14.265 469 HD21 ASN 61 1HD2 ASN 61 -13.580 -3.414 -14.961 470 HD22 ASN 61 2HD2 ASN 61 -13.662 -5.100 -14.575 471 H ALA 62 H ALA 62 -9.190 -0.578 -11.475 472 HA ALA 62 HA ALA 62 -7.834 -0.251 -13.958 473 HB1 ALA 62 1HB ALA 62 -7.621 1.748 -12.942 474 HB2 ALA 62 2HB ALA 62 -8.039 1.059 -11.355 475 HB3 ALA 62 3HB ALA 62 -6.356 1.005 -11.933 476 HA PRO 63 HA PRO 63 -4.696 -3.166 -13.330 477 HB2 PRO 63 1HB PRO 63 -2.790 -2.237 -15.053 478 HB3 PRO 63 2HB PRO 63 -4.170 -3.184 -15.571 479 HG2 PRO 63 1HG PRO 63 -3.696 -0.281 -15.871 480 HG3 PRO 63 2HG PRO 63 -4.831 -1.303 -16.731 481 HD2 PRO 63 1HD PRO 63 -5.437 0.527 -14.607 482 HD3 PRO 63 2HD PRO 63 -6.551 -0.579 -15.388 483 H TRP 64 H TRP 64 -2.851 -3.690 -12.158 484 HA TRP 64 HA TRP 64 -2.238 -2.001 -10.110 485 HB2 TRP 64 1HB TRP 64 -0.393 -4.029 -11.384 486 HB3 TRP 64 2HB TRP 64 -0.251 -3.369 -9.766 487 HD1 TRP 64 HD TRP 64 -1.576 -6.351 -11.421 488 HE1 TRP 64 1HE TRP 64 -3.283 -7.732 -9.958 489 HE3 TRP 64 3HE TRP 64 -2.396 -2.694 -7.985 490 HZ2 TRP 64 2HZ TRP 64 -4.752 -7.153 -7.581 491 HZ3 TRP 64 3HZ TRP 64 -3.982 -3.183 -6.125 492 HH2 TRP 64 HH TRP 64 -5.141 -5.322 -5.891 493 H THR 65 H THR 65 -1.504 0.079 -10.228 494 HA THR 65 HA THR 65 0.487 0.671 -12.319 495 HB THR 65 HB THR 65 -1.973 1.754 -12.172 496 HG1 THR 65 1HG THR 65 -0.264 2.351 -13.666 497 HG21 THR 65 1HG2 THR 65 -0.252 3.612 -10.451 498 HG22 THR 65 2HG2 THR 65 -1.924 3.900 -10.988 499 HG23 THR 65 3HG2 THR 65 -1.578 2.619 -9.801 500 H VAL 66 H VAL 66 2.506 0.829 -11.596 501 HA VAL 66 HA VAL 66 3.163 0.885 -8.905 502 HB VAL 66 HB VAL 66 4.727 1.724 -11.352 503 HG11 VAL 66 1HG1 VAL 66 6.475 0.736 -9.379 504 HG12 VAL 66 2HG1 VAL 66 6.333 2.411 -9.963 505 HG13 VAL 66 3HG1 VAL 66 5.402 1.883 -8.541 506 HG21 VAL 66 1HG2 VAL 66 5.069 -0.881 -9.893 507 HG22 VAL 66 2HG2 VAL 66 3.731 -0.687 -11.051 508 HG23 VAL 66 3HG2 VAL 66 5.414 -0.474 -11.591 509 H LEU 67 H LEU 67 2.325 2.457 -7.579 510 HA LEU 67 HA LEU 67 2.297 5.191 -8.510 511 HB2 LEU 67 1HB LEU 67 1.086 3.625 -6.316 512 HB3 LEU 67 2HB LEU 67 1.472 5.291 -5.934 513 HG LEU 67 HG LEU 67 -0.411 4.250 -8.052 514 HD11 LEU 67 1HD1 LEU 67 -2.082 5.523 -6.883 515 HD12 LEU 67 2HD1 LEU 67 -1.228 4.486 -5.716 516 HD13 LEU 67 3HD1 LEU 67 -0.857 6.225 -5.799 517 HD21 LEU 67 1HD2 LEU 67 0.941 6.920 -7.883 518 HD22 LEU 67 2HD2 LEU 67 0.556 5.920 -9.305 519 HD23 LEU 67 3HD2 LEU 67 -0.736 6.815 -8.470 520 H LEU 68 H LEU 68 3.619 3.451 -5.600 521 HA LEU 68 HA LEU 68 5.720 5.500 -5.548 522 HB2 LEU 68 1HB LEU 68 3.979 4.472 -3.547 523 HB3 LEU 68 2HB LEU 68 5.606 3.959 -3.147 524 HG LEU 68 HG LEU 68 4.873 6.834 -3.749 525 HD11 LEU 68 1HD1 LEU 68 4.649 7.275 -1.441 526 HD12 LEU 68 2HD1 LEU 68 3.655 5.833 -1.758 527 HD13 LEU 68 3HD1 LEU 68 5.252 5.663 -0.990 528 HD21 LEU 68 1HD2 LEU 68 7.005 7.416 -3.234 529 HD22 LEU 68 2HD2 LEU 68 7.218 6.077 -2.082 530 HD23 LEU 68 3HD2 LEU 68 7.324 5.770 -3.832 531 H ALA 69 H ALA 69 7.541 4.820 -6.542 532 HA ALA 69 HA ALA 69 8.098 1.970 -6.597 533 HB1 ALA 69 1HB ALA 69 8.822 2.542 -8.645 534 HB2 ALA 69 2HB ALA 69 8.589 4.268 -8.281 535 HB3 ALA 69 3HB ALA 69 10.133 3.476 -7.886 536 H SER 70 H SER 70 9.139 4.993 -5.055 537 HA SER 70 HA SER 70 11.299 3.483 -3.806 538 HB2 SER 70 1HB SER 70 12.512 5.260 -4.555 539 HB3 SER 70 2HB SER 70 11.086 6.241 -4.828 540 HG SER 70 HG SER 70 11.029 6.732 -2.547 541 H VAL 71 H VAL 71 10.383 2.605 -1.949 542 HA VAL 71 HA VAL 71 9.071 4.532 -0.162 543 HB VAL 71 HB VAL 71 8.281 1.733 -0.926 544 HG11 VAL 71 1HG1 VAL 71 8.375 1.708 1.501 545 HG12 VAL 71 2HG1 VAL 71 7.458 3.231 1.584 546 HG13 VAL 71 3HG1 VAL 71 6.677 1.754 0.970 547 HG21 VAL 71 1HG2 VAL 71 6.371 3.995 -0.481 548 HG22 VAL 71 2HG2 VAL 71 7.397 4.024 -1.936 549 HG23 VAL 71 3HG2 VAL 71 6.303 2.650 -1.645 550 H ASP 72 H ASP 72 9.404 4.121 2.135 551 HA ASP 72 HA ASP 72 12.034 3.333 2.634 552 HB2 ASP 72 1HB ASP 72 9.784 4.500 4.081 553 HB3 ASP 72 2HB ASP 72 10.554 3.282 5.078 554 HA PRO 73 HA PRO 73 11.208 -0.933 3.327 555 HB2 PRO 73 1HB PRO 73 13.616 -1.690 4.374 556 HB3 PRO 73 2HB PRO 73 13.326 -1.532 2.653 557 HG2 PRO 73 1HG PRO 73 14.820 0.275 4.454 558 HG3 PRO 73 2HG PRO 73 14.873 0.178 2.705 559 HD2 PRO 73 1HD PRO 73 13.519 2.161 4.273 560 HD3 PRO 73 2HD PRO 73 13.477 1.996 2.529 561 H LYS 74 H LYS 74 12.315 1.124 5.884 562 HA LYS 74 HA LYS 74 11.421 -0.802 7.856 563 HB2 LYS 74 1HB LYS 74 13.068 1.672 7.840 564 HB3 LYS 74 2HB LYS 74 12.124 1.383 9.288 565 HG2 LYS 74 1HG LYS 74 13.335 -0.495 9.878 566 HG3 LYS 74 2HG LYS 74 13.554 -1.011 8.218 567 HD2 LYS 74 1HD LYS 74 15.727 -0.347 9.097 568 HD3 LYS 74 2HD LYS 74 15.243 0.832 7.894 569 HE2 LYS 74 1HE LYS 74 15.690 2.392 9.502 570 HE3 LYS 74 2HE LYS 74 14.144 1.932 10.185 571 HZ1 LYS 74 1HZ LYS 74 15.267 0.333 11.556 572 HZ2 LYS 74 2HZ LYS 74 16.713 0.690 10.886 573 HZ3 LYS 74 3HZ LYS 74 15.933 1.807 11.787 574 H ALA 75 H ALA 75 9.744 0.905 5.754 575 HA ALA 75 HA ALA 75 7.928 2.099 7.721 576 HB1 ALA 75 1HB ALA 75 7.008 3.313 5.782 577 HB2 ALA 75 2HB ALA 75 8.764 3.572 5.920 578 HB3 ALA 75 3HB ALA 75 8.123 2.443 4.701 579 H THR 76 H THR 76 5.848 1.317 7.990 580 HA THR 76 HA THR 76 5.124 -0.971 6.280 581 HB THR 76 HB THR 76 4.145 -1.980 8.330 582 HG1 THR 76 1HG THR 76 5.394 0.348 9.599 583 HG21 THR 76 1HG2 THR 76 6.647 -1.198 9.641 584 HG22 THR 76 2HG2 THR 76 6.172 -2.793 9.011 585 HG23 THR 76 3HG2 THR 76 6.936 -1.602 7.932 586 H SER 77 H SER 77 4.499 2.212 6.858 587 HA SER 77 HA SER 77 1.755 1.800 6.027 588 HB2 SER 77 1HB SER 77 1.121 3.803 7.523 589 HB3 SER 77 2HB SER 77 1.383 2.266 8.323 590 HG SER 77 HG SER 77 3.713 3.107 8.574 591 H VAL 78 H VAL 78 0.885 3.649 4.787 592 HA VAL 78 HA VAL 78 2.684 5.819 4.209 593 HB VAL 78 HB VAL 78 3.436 3.875 2.790 594 HG11 VAL 78 1HG1 VAL 78 0.600 3.977 2.020 595 HG12 VAL 78 2HG1 VAL 78 1.720 3.945 0.637 596 HG13 VAL 78 3HG1 VAL 78 1.787 2.659 1.866 597 HG21 VAL 78 1HG2 VAL 78 3.330 6.561 2.256 598 HG22 VAL 78 2HG2 VAL 78 4.192 5.357 1.269 599 HG23 VAL 78 3HG2 VAL 78 2.552 5.875 0.810 600 H THR 79 H THR 79 1.599 7.524 2.959 601 HA THR 79 HA THR 79 -1.331 7.205 3.051 602 HB THR 79 HB THR 79 0.524 9.526 3.756 603 HG1 THR 79 1HG THR 79 -0.129 7.903 5.371 604 HG21 THR 79 1HG2 THR 79 -2.522 9.532 3.413 605 HG22 THR 79 2HG2 THR 79 -1.571 10.839 4.159 606 HG23 THR 79 3HG2 THR 79 -1.371 10.468 2.429 607 H VAL 80 H VAL 80 -2.021 6.806 1.032 608 HA VAL 80 HA VAL 80 -0.604 7.810 -1.224 609 HB VAL 80 HB VAL 80 -3.287 6.452 -0.906 610 HG11 VAL 80 1HG1 VAL 80 -1.793 7.399 -3.334 611 HG12 VAL 80 2HG1 VAL 80 -2.756 5.905 -3.424 612 HG13 VAL 80 3HG1 VAL 80 -3.537 7.442 -2.980 613 HG21 VAL 80 1HG2 VAL 80 -2.118 4.574 -0.643 614 HG22 VAL 80 2HG2 VAL 80 -1.357 4.832 -2.232 615 HG23 VAL 80 3HG2 VAL 80 -0.593 5.485 -0.763 616 H LYS 81 H LYS 81 -1.363 9.371 -2.783 617 HA LYS 81 HA LYS 81 -3.503 11.107 -1.807 618 HB2 LYS 81 1HB LYS 81 -0.750 12.065 -2.647 619 HB3 LYS 81 2HB LYS 81 -2.127 13.098 -2.325 620 HG2 LYS 81 1HG LYS 81 -2.065 12.717 -0.022 621 HG3 LYS 81 2HG LYS 81 -1.396 11.107 -0.192 622 HD2 LYS 81 1HD LYS 81 0.809 12.067 -0.830 623 HD3 LYS 81 2HD LYS 81 0.149 13.688 -0.734 624 HE2 LYS 81 1HE LYS 81 -0.208 11.968 1.700 625 HE3 LYS 81 2HE LYS 81 1.432 12.474 1.346 626 HZ1 LYS 81 1HZ LYS 81 -0.762 14.027 2.258 627 HZ2 LYS 81 2HZ LYS 81 0.838 14.343 2.339 628 HZ3 LYS 81 3HZ LYS 81 -0.001 14.720 0.990 629 H GLY 82 H GLY 82 -3.721 12.936 -3.745 630 HA2 GLY 82 1HA GLY 82 -4.545 13.231 -5.815 631 HA3 GLY 82 2HA GLY 82 -3.185 12.271 -6.365 632 H LEU 83 H LEU 83 -6.314 11.685 -4.590 633 HA LEU 83 HA LEU 83 -6.716 9.400 -6.394 634 HB2 LEU 83 1HB LEU 83 -7.605 9.771 -3.530 635 HB3 LEU 83 2HB LEU 83 -8.066 8.430 -4.561 636 HG LEU 83 HG LEU 83 -5.263 9.092 -3.619 637 HD11 LEU 83 1HD1 LEU 83 -6.985 8.075 -2.000 638 HD12 LEU 83 2HD1 LEU 83 -6.830 6.599 -2.982 639 HD13 LEU 83 3HD1 LEU 83 -5.403 7.276 -2.162 640 HD21 LEU 83 1HD2 LEU 83 -5.017 8.199 -5.801 641 HD22 LEU 83 2HD2 LEU 83 -4.689 6.866 -4.668 642 HD23 LEU 83 3HD2 LEU 83 -6.254 6.953 -5.512 643 H VAL 84 H VAL 84 -9.210 8.858 -6.517 644 HA VAL 84 HA VAL 84 -10.533 11.420 -7.066 645 HB VAL 84 HB VAL 84 -10.825 8.675 -8.294 646 HG11 VAL 84 1HG1 VAL 84 -12.640 9.403 -9.574 647 HG12 VAL 84 2HG1 VAL 84 -12.992 10.060 -7.958 648 HG13 VAL 84 3HG1 VAL 84 -12.328 11.120 -9.225 649 HG21 VAL 84 1HG2 VAL 84 -8.906 9.756 -9.183 650 HG22 VAL 84 2HG2 VAL 84 -10.199 9.982 -10.386 651 HG23 VAL 84 3HG2 VAL 84 -9.747 11.320 -9.302 652 HA PRO 85 HA PRO 85 -13.404 10.375 -4.001 653 HB2 PRO 85 1HB PRO 85 -15.419 12.114 -4.621 654 HB3 PRO 85 2HB PRO 85 -13.995 12.582 -3.712 655 HG2 PRO 85 1HG PRO 85 -14.669 13.164 -6.531 656 HG3 PRO 85 2HG PRO 85 -13.495 13.954 -5.497 657 HD2 PRO 85 1HD PRO 85 -12.947 12.056 -7.576 658 HD3 PRO 85 2HD PRO 85 -11.788 12.758 -6.466 659 H ALA 86 H ALA 86 -15.335 9.247 -3.482 660 HA ALA 86 HA ALA 86 -16.724 7.571 -3.927 661 HB1 ALA 86 1HB ALA 86 -18.269 9.247 -4.521 662 HB2 ALA 86 2HB ALA 86 -17.406 9.640 -6.028 663 HB3 ALA 86 3HB ALA 86 -18.327 8.122 -5.899 664 H ARG 87 H ARG 87 -14.372 6.612 -4.540 665 HA ARG 87 HA ARG 87 -14.918 5.085 -6.891 666 HB2 ARG 87 1HB ARG 87 -12.626 7.050 -6.696 667 HB3 ARG 87 2HB ARG 87 -12.343 5.538 -7.535 668 HG2 ARG 87 1HG ARG 87 -14.669 6.165 -8.732 669 HG3 ARG 87 2HG ARG 87 -14.217 7.790 -8.258 670 HD2 ARG 87 1HD ARG 87 -11.944 7.394 -9.364 671 HD3 ARG 87 2HD ARG 87 -12.567 5.872 -9.970 672 HE ARG 87 HE ARG 87 -14.485 7.741 -10.745 673 HH11 ARG 87 2HH2 ARG 87 -11.019 7.385 -11.235 674 HH12 ARG 87 1HH2 ARG 87 -11.023 8.197 -12.765 675 HH21 ARG 87 2HH1 ARG 87 -14.491 8.812 -12.764 676 HH22 ARG 87 1HH1 ARG 87 -13.011 9.014 -13.640 677 H SER 88 H SER 88 -13.839 3.019 -6.833 678 HA SER 88 HA SER 88 -12.927 2.333 -4.228 679 HB2 SER 88 1HB SER 88 -13.226 0.719 -6.797 680 HB3 SER 88 2HB SER 88 -12.722 0.018 -5.272 681 HG SER 88 HG SER 88 -14.736 0.530 -4.343 682 H TYR 89 H TYR 89 -10.823 1.288 -3.769 683 HA TYR 89 HA TYR 89 -8.774 1.657 -5.803 684 HB2 TYR 89 1HB TYR 89 -9.125 3.050 -3.109 685 HB3 TYR 89 2HB TYR 89 -7.493 2.688 -3.635 686 HD1 TYR 89 2HD TYR 89 -6.980 3.446 -6.169 687 HD2 TYR 89 1HD TYR 89 -9.997 5.132 -3.647 688 HE1 TYR 89 2HE TYR 89 -6.962 5.575 -7.559 689 HE2 TYR 89 1HE TYR 89 -9.968 7.256 -5.045 690 HH TYR 89 HH TYR 89 -8.617 7.410 -8.059 691 H GLN 90 H GLN 90 -7.020 0.236 -5.578 692 HA GLN 90 HA GLN 90 -7.141 -1.473 -3.224 693 HB2 GLN 90 1HB GLN 90 -7.417 -2.227 -6.080 694 HB3 GLN 90 2HB GLN 90 -6.240 -3.187 -5.206 695 HG2 GLN 90 1HG GLN 90 -7.954 -3.667 -3.439 696 HG3 GLN 90 2HG GLN 90 -9.129 -2.718 -4.326 697 HE21 GLN 90 1HE2 GLN 90 -9.718 -5.262 -3.737 698 HE22 GLN 90 2HE2 GLN 90 -9.691 -6.279 -5.138 699 H PHE 91 H PHE 91 -5.179 -1.705 -2.209 700 HA PHE 91 HA PHE 91 -2.838 -0.803 -3.734 701 HB2 PHE 91 1HB PHE 91 -3.682 -0.737 -0.785 702 HB3 PHE 91 2HB PHE 91 -2.014 -0.462 -1.247 703 HD1 PHE 91 2HD PHE 91 -1.798 1.352 -3.251 704 HD2 PHE 91 1HD PHE 91 -4.965 1.137 -0.434 705 HE1 PHE 91 2HE PHE 91 -2.304 3.781 -3.635 706 HE2 PHE 91 1HE PHE 91 -5.471 3.565 -0.818 707 HZ PHE 91 HZ PHE 91 -4.135 4.858 -2.414 708 H ARG 92 H ARG 92 -0.797 -1.920 -3.357 709 HA ARG 92 HA ARG 92 -0.712 -4.190 -1.737 710 HB2 ARG 92 1HB ARG 92 -0.359 -5.838 -3.716 711 HB3 ARG 92 2HB ARG 92 -2.011 -5.387 -3.344 712 HG2 ARG 92 1HG ARG 92 -2.181 -3.934 -5.214 713 HG3 ARG 92 2HG ARG 92 -0.444 -3.757 -5.362 714 HD2 ARG 92 1HD ARG 92 -0.990 -6.555 -5.652 715 HD3 ARG 92 2HD ARG 92 -2.186 -5.719 -6.623 716 HE ARG 92 HE ARG 92 0.086 -4.393 -7.346 717 HH11 ARG 92 2HH2 ARG 92 -0.603 -7.832 -7.063 718 HH12 ARG 92 1HH2 ARG 92 0.526 -8.290 -8.295 719 HH21 ARG 92 2HH1 ARG 92 1.575 -4.996 -8.971 720 HH22 ARG 92 1HH1 ARG 92 1.773 -6.666 -9.387 721 H LEU 93 H LEU 93 1.388 -3.854 -1.057 722 HA LEU 93 HA LEU 93 3.351 -3.163 -3.128 723 HB2 LEU 93 1HB LEU 93 4.664 -2.182 -1.305 724 HB3 LEU 93 2HB LEU 93 3.116 -1.399 -1.549 725 HG LEU 93 HG LEU 93 3.371 -3.529 0.553 726 HD11 LEU 93 1HD1 LEU 93 4.982 -1.181 0.507 727 HD12 LEU 93 2HD1 LEU 93 3.746 -0.980 1.771 728 HD13 LEU 93 3HD1 LEU 93 4.818 -2.400 1.794 729 HD21 LEU 93 1HD2 LEU 93 1.261 -2.947 0.903 730 HD22 LEU 93 2HD2 LEU 93 1.819 -1.331 1.399 731 HD23 LEU 93 3HD2 LEU 93 1.379 -1.638 -0.298 732 H CYS 94 H CYS 94 5.546 -4.111 -2.842 733 HA CYS 94 HA CYS 94 5.347 -6.723 -1.528 734 HB2 CYS 94 1HB CYS 94 6.865 -7.593 -3.309 735 HB3 CYS 94 2HB CYS 94 5.281 -7.123 -3.893 736 HG CYS 94 HG CYS 94 5.985 -4.696 -4.659 737 H ALA 95 H ALA 95 7.820 -7.590 -1.296 738 HA ALA 95 HA ALA 95 9.265 -5.366 -0.046 739 HB1 ALA 95 1HB ALA 95 8.637 -7.112 1.507 740 HB2 ALA 95 2HB ALA 95 9.280 -8.371 0.426 741 HB3 ALA 95 3HB ALA 95 10.390 -7.231 1.224 742 H VAL 96 H VAL 96 11.070 -4.622 -1.038 743 HA VAL 96 HA VAL 96 12.373 -6.456 -2.931 744 HB VAL 96 HB VAL 96 12.232 -3.441 -3.081 745 HG11 VAL 96 1HG1 VAL 96 13.875 -3.682 -4.573 746 HG12 VAL 96 2HG1 VAL 96 13.780 -5.457 -4.473 747 HG13 VAL 96 3HG1 VAL 96 12.732 -4.572 -5.607 748 HG21 VAL 96 1HG2 VAL 96 10.261 -3.540 -4.134 749 HG22 VAL 96 2HG2 VAL 96 10.803 -4.878 -5.174 750 HG23 VAL 96 3HG2 VAL 96 10.133 -5.220 -3.561 751 H ASN 97 H ASN 97 14.511 -6.884 -2.582 752 HA ASN 97 HA ASN 97 15.906 -5.069 -0.796 753 HB2 ASN 97 1HB ASN 97 16.850 -6.939 0.478 754 HB3 ASN 97 2HB ASN 97 15.105 -7.098 0.496 755 HD21 ASN 97 1HD2 ASN 97 16.453 -9.272 1.084 756 HD22 ASN 97 2HD2 ASN 97 16.456 -10.442 -0.193 757 H ASP 98 H ASP 98 18.405 -5.626 -0.900 758 HA ASP 98 HA ASP 98 19.392 -5.276 -3.307 759 HB2 ASP 98 1HB ASP 98 20.705 -5.380 -1.172 760 HB3 ASP 98 2HB ASP 98 20.603 -7.129 -1.201 761 H VAL 99 H VAL 99 18.744 -8.498 -1.753 762 HA VAL 99 HA VAL 99 19.713 -10.148 -3.709 763 HB VAL 99 HB VAL 99 17.195 -10.594 -2.102 764 HG11 VAL 99 1HG1 VAL 99 19.151 -12.367 -3.533 765 HG12 VAL 99 2HG1 VAL 99 18.334 -12.970 -2.070 766 HG13 VAL 99 3HG1 VAL 99 17.373 -12.444 -3.473 767 HG21 VAL 99 1HG2 VAL 99 20.079 -10.524 -1.263 768 HG22 VAL 99 2HG2 VAL 99 18.632 -9.928 -0.416 769 HG23 VAL 99 3HG2 VAL 99 18.965 -11.675 -0.487 770 H GLY 100 H GLY 100 16.406 -8.683 -3.440 771 HA2 GLY 100 1HA GLY 100 16.001 -8.041 -6.033 772 HA3 GLY 100 2HA GLY 100 15.624 -9.752 -6.005 773 H LYS 101 H LYS 101 13.392 -8.995 -6.589 774 HA LYS 101 HA LYS 101 11.971 -7.920 -4.261 775 HB2 LYS 101 1HB LYS 101 11.735 -6.526 -6.207 776 HB3 LYS 101 2HB LYS 101 11.316 -7.895 -7.218 777 HG2 LYS 101 1HG LYS 101 9.374 -8.222 -5.391 778 HG3 LYS 101 2HG LYS 101 9.657 -6.516 -5.107 779 HD2 LYS 101 1HD LYS 101 9.038 -7.754 -7.832 780 HD3 LYS 101 2HD LYS 101 7.872 -6.922 -6.822 781 HE2 LYS 101 1HE LYS 101 8.608 -4.869 -7.489 782 HE3 LYS 101 2HE LYS 101 10.285 -5.290 -7.204 783 HZ1 LYS 101 1HZ LYS 101 9.742 -4.852 -9.538 784 HZ2 LYS 101 2HZ LYS 101 10.375 -6.340 -9.313 785 HZ3 LYS 101 3HZ LYS 101 8.771 -6.165 -9.565 786 H GLY 102 H GLY 102 10.143 -8.999 -3.425 787 HA2 GLY 102 1HA GLY 102 10.100 -11.859 -4.059 788 HA3 GLY 102 2HA GLY 102 9.443 -11.074 -2.637 789 H GLN 103 H GLN 103 7.254 -10.776 -2.548 790 HA GLN 103 HA GLN 103 5.876 -10.576 -5.103 791 HB2 GLN 103 1HB GLN 103 3.998 -11.955 -3.893 792 HB3 GLN 103 2HB GLN 103 5.360 -12.802 -4.598 793 HG2 GLN 103 1HG GLN 103 6.288 -13.341 -2.532 794 HG3 GLN 103 2HG GLN 103 5.689 -11.887 -1.757 795 HE21 GLN 103 1HE2 GLN 103 5.393 -13.972 -0.288 796 HE22 GLN 103 2HE2 GLN 103 3.782 -14.608 -0.259 797 H PHE 104 H PHE 104 3.486 -9.793 -4.706 798 HA PHE 104 HA PHE 104 3.680 -7.625 -2.758 799 HB2 PHE 104 1HB PHE 104 1.857 -8.216 -5.168 800 HB3 PHE 104 2HB PHE 104 1.743 -6.756 -4.205 801 HD1 PHE 104 1HD PHE 104 4.384 -8.676 -6.032 802 HD2 PHE 104 2HD PHE 104 2.750 -4.880 -5.068 803 HE1 PHE 104 1HE PHE 104 6.086 -7.569 -7.507 804 HE2 PHE 104 2HE PHE 104 4.453 -3.773 -6.543 805 HZ PHE 104 HZ PHE 104 6.101 -5.131 -7.744 806 H SER 105 H SER 105 1.807 -7.078 -1.422 807 HA SER 105 HA SER 105 0.660 -9.387 -0.320 808 HB2 SER 105 1HB SER 105 -0.779 -7.465 0.867 809 HB3 SER 105 2HB SER 105 0.893 -7.759 1.299 810 HG SER 105 HG SER 105 -0.263 -5.572 -0.041 811 H LYS 106 H LYS 106 -1.800 -9.618 0.020 812 HA LYS 106 HA LYS 106 -3.046 -9.714 -2.495 813 HB2 LYS 106 1HB LYS 106 -3.829 -10.301 0.334 814 HB3 LYS 106 2HB LYS 106 -5.098 -10.158 -0.865 815 HG2 LYS 106 1HG LYS 106 -3.838 -11.824 -2.314 816 HG3 LYS 106 2HG LYS 106 -2.691 -12.032 -1.006 817 HD2 LYS 106 1HD LYS 106 -4.297 -13.047 0.422 818 HD3 LYS 106 2HD LYS 106 -5.654 -12.381 -0.465 819 HE2 LYS 106 1HE LYS 106 -5.037 -13.842 -2.435 820 HE3 LYS 106 2HE LYS 106 -3.753 -14.551 -1.477 821 HZ1 LYS 106 1HZ LYS 106 -6.583 -14.577 -0.688 822 HZ2 LYS 106 2HZ LYS 106 -5.826 -15.816 -1.436 823 HZ3 LYS 106 3HZ LYS 106 -5.358 -15.356 0.060 824 H ASP 107 H ASP 107 -5.125 -8.642 -3.090 825 HA ASP 107 HA ASP 107 -4.824 -5.919 -3.033 826 HB2 ASP 107 1HB ASP 107 -7.270 -5.918 -3.809 827 HB3 ASP 107 2HB ASP 107 -6.162 -6.883 -4.764 828 H THR 108 H THR 108 -5.041 -4.595 -1.221 829 HA THR 108 HA THR 108 -6.182 -5.372 1.176 830 HB THR 108 HB THR 108 -6.044 -2.892 1.656 831 HG1 THR 108 1HG THR 108 -5.564 -1.570 -0.198 832 HG21 THR 108 1HG2 THR 108 -3.835 -4.482 0.442 833 HG22 THR 108 2HG2 THR 108 -3.607 -2.720 0.336 834 HG23 THR 108 3HG2 THR 108 -3.833 -3.495 1.923 835 H GLU 109 H GLU 109 -8.092 -4.463 2.310 836 HA GLU 109 HA GLU 109 -10.374 -5.192 1.067 837 HB2 GLU 109 1HB GLU 109 -9.622 -3.903 3.541 838 HB3 GLU 109 2HB GLU 109 -11.050 -3.102 2.916 839 HG2 GLU 109 1HG GLU 109 -12.099 -5.414 2.592 840 HG3 GLU 109 2HG GLU 109 -10.721 -6.092 3.436 841 H ARG 110 H ARG 110 -11.442 -4.401 -0.689 842 HA ARG 110 HA ARG 110 -10.806 -2.325 -2.146 843 HB2 ARG 110 1HB ARG 110 -13.114 -3.993 -1.865 844 HB3 ARG 110 2HB ARG 110 -13.723 -2.355 -1.997 845 HG2 ARG 110 1HG ARG 110 -12.313 -2.024 -4.061 846 HG3 ARG 110 2HG ARG 110 -11.780 -3.689 -3.942 847 HD2 ARG 110 1HD ARG 110 -13.571 -3.927 -5.428 848 HD3 ARG 110 2HD ARG 110 -14.386 -4.231 -3.907 849 HE ARG 110 HE ARG 110 -14.430 -1.409 -4.443 850 HH11 ARG 110 2HH2 ARG 110 -15.866 -4.418 -5.568 851 HH12 ARG 110 1HH2 ARG 110 -17.317 -3.662 -6.137 852 HH21 ARG 110 2HH1 ARG 110 -16.344 -0.411 -5.194 853 HH22 ARG 110 1HH1 ARG 110 -17.590 -1.367 -5.923 854 H VAL 111 H VAL 111 -10.164 -0.359 -1.193 855 HA VAL 111 HA VAL 111 -11.995 0.900 0.683 856 HB VAL 111 HB VAL 111 -9.488 0.664 1.016 857 HG11 VAL 111 1HG1 VAL 111 -9.289 3.056 -0.824 858 HG12 VAL 111 2HG1 VAL 111 -7.979 2.082 -0.112 859 HG13 VAL 111 3HG1 VAL 111 -9.003 1.394 -1.396 860 HG21 VAL 111 1HG2 VAL 111 -10.952 2.188 2.322 861 HG22 VAL 111 2HG2 VAL 111 -9.300 2.819 2.121 862 HG23 VAL 111 3HG2 VAL 111 -10.630 3.476 1.136 863 H SER 112 H SER 112 -13.443 2.427 0.077 864 HA SER 112 HA SER 112 -13.099 3.490 -2.611 865 HB2 SER 112 1HB SER 112 -15.193 2.440 -2.585 866 HB3 SER 112 2HB SER 112 -15.501 2.847 -0.909 867 HG SER 112 HG SER 112 -16.033 4.316 -3.241 868 H LEU 113 H LEU 113 -13.271 5.778 -2.971 869 HA LEU 113 HA LEU 113 -12.699 7.331 -0.588 870 HB2 LEU 113 1HB LEU 113 -11.755 7.315 -3.215 871 HB3 LEU 113 2HB LEU 113 -12.720 8.773 -3.104 872 HG LEU 113 HG LEU 113 -11.139 8.706 -0.758 873 HD11 LEU 113 1HD1 LEU 113 -9.763 7.514 -3.083 874 HD12 LEU 113 2HD1 LEU 113 -8.886 8.831 -2.266 875 HD13 LEU 113 3HD1 LEU 113 -9.404 7.400 -1.343 876 HD21 LEU 113 1HD2 LEU 113 -10.151 10.443 -2.892 877 HD22 LEU 113 2HD2 LEU 113 -11.918 10.515 -2.691 878 HD23 LEU 113 3HD2 LEU 113 -10.850 10.849 -1.306 879 HA PRO 114 HA PRO 114 -16.594 9.180 -0.441 880 HB2 PRO 114 1HB PRO 114 -16.046 11.649 0.595 881 HB3 PRO 114 2HB PRO 114 -16.134 10.198 1.573 882 HG2 PRO 114 1HG PRO 114 -13.743 11.701 0.698 883 HG3 PRO 114 2HG PRO 114 -13.890 10.530 1.993 884 HD2 PRO 114 1HD PRO 114 -12.726 10.092 -0.591 885 HD3 PRO 114 2HD PRO 114 -12.979 8.893 0.661 886 H GLU 115 H GLU 115 -18.161 10.387 -1.509 887 HA GLU 115 HA GLU 115 -17.357 11.139 -4.055 888 HB2 GLU 115 1HB GLU 115 -19.732 10.519 -2.945 889 HB3 GLU 115 2HB GLU 115 -19.887 12.264 -2.882 890 HG2 GLU 115 1HG GLU 115 -19.712 12.494 -5.252 891 HG3 GLU 115 2HG GLU 115 -18.999 10.905 -5.448 892 H SER 116 H SER 116 -17.235 13.249 -5.070 893 HA SER 116 HA SER 116 -17.508 15.578 -3.532 894 HB2 SER 116 1HB SER 116 -15.202 14.446 -2.837 895 HB3 SER 116 2HB SER 116 -14.636 15.121 -4.352 896 HG SER 116 HG SER 116 -15.491 17.235 -3.566 897 H GLY 117 H GLY 117 -17.995 17.206 -4.983 898 HA2 GLY 117 1HA GLY 117 -18.044 18.392 -6.903 899 HA3 GLY 117 2HA GLY 117 -16.658 17.490 -7.482 900 HA PRO 118 HA PRO 118 -20.388 16.111 -9.769 901 HB2 PRO 118 1HB PRO 118 -19.757 17.058 -12.253 902 HB3 PRO 118 2HB PRO 118 -20.804 17.914 -11.139 903 HG2 PRO 118 1HG PRO 118 -17.997 18.495 -11.860 904 HG3 PRO 118 2HG PRO 118 -19.176 19.547 -11.103 905 HD2 PRO 118 1HD PRO 118 -17.002 18.195 -9.810 906 HD3 PRO 118 2HD PRO 118 -18.248 19.153 -9.036 907 H SER 119 H SER 119 -17.113 16.238 -11.076 908 HA SER 119 HA SER 119 -15.927 14.729 -12.108 909 HB2 SER 119 1HB SER 119 -15.955 13.826 -9.761 910 HB3 SER 119 2HB SER 119 -17.296 12.786 -10.195 911 HG SER 119 HG SER 119 -14.892 12.703 -11.760 912 H SER 120 H SER 120 -16.674 14.629 -14.245 913 HA SER 120 HA SER 120 -19.053 13.150 -14.801 914 HB2 SER 120 1HB SER 120 -17.747 15.282 -16.013 915 HB3 SER 120 2HB SER 120 -17.347 13.957 -17.087 916 HG SER 120 HG SER 120 -20.060 14.213 -16.228 917 H GLY 121 H GLY 121 -19.135 10.998 -15.374 918 HA2 GLY 121 1HA GLY 121 -17.436 9.617 -17.002 919 HA3 GLY 121 2HA GLY 121 -16.706 9.470 -15.416 Start of MODEL 3 1 H1 GLY 1 H GLY 1 14.810 -42.540 -4.306 2 HA2 GLY 1 1HA GLY 1 13.592 -44.688 -2.820 3 HA3 GLY 1 2HA GLY 1 15.295 -44.942 -3.145 4 H SER 2 H SER 2 14.602 -44.725 -0.515 5 HA SER 2 HA SER 2 15.036 -43.672 1.331 6 HB2 SER 2 1HB SER 2 16.711 -41.713 -0.296 7 HB3 SER 2 2HB SER 2 16.873 -42.056 1.414 8 HG SER 2 HG SER 2 17.618 -44.159 0.944 9 H SER 3 H SER 3 12.908 -42.909 1.761 10 HA SER 3 HA SER 3 11.663 -40.845 0.538 11 HB2 SER 3 1HB SER 3 10.189 -40.771 2.455 12 HB3 SER 3 2HB SER 3 10.677 -42.439 2.224 13 HG SER 3 HG SER 3 11.169 -42.296 4.318 14 H GLY 4 H GLY 4 11.073 -38.629 1.637 15 HA2 GLY 4 1HA GLY 4 13.474 -37.472 2.914 16 HA3 GLY 4 2HA GLY 4 12.714 -36.710 1.532 17 H SER 5 H SER 5 12.968 -35.330 3.972 18 HA SER 5 HA SER 5 10.439 -35.599 5.311 19 HB2 SER 5 1HB SER 5 12.491 -35.209 6.636 20 HB3 SER 5 2HB SER 5 12.793 -33.714 5.774 21 HG SER 5 HG SER 5 10.345 -34.167 7.241 22 H SER 6 H SER 6 12.337 -32.974 3.642 23 HA SER 6 HA SER 6 10.188 -32.135 2.130 24 HB2 SER 6 1HB SER 6 10.393 -30.906 4.840 25 HB3 SER 6 2HB SER 6 10.203 -29.767 3.523 26 HG SER 6 HG SER 6 8.276 -30.868 2.865 27 H GLY 7 H GLY 7 12.925 -30.757 4.098 28 HA2 GLY 7 1HA GLY 7 15.007 -30.216 3.154 29 HA3 GLY 7 2HA GLY 7 14.254 -30.008 1.585 30 H ARG 8 H ARG 8 14.682 -28.572 4.840 31 HA ARG 8 HA ARG 8 13.579 -26.101 3.796 32 HB2 ARG 8 1HB ARG 8 13.485 -25.371 6.171 33 HB3 ARG 8 2HB ARG 8 12.655 -26.900 5.962 34 HG2 ARG 8 1HG ARG 8 15.523 -27.269 6.550 35 HG3 ARG 8 2HG ARG 8 14.707 -26.361 7.807 36 HD2 ARG 8 1HD ARG 8 13.512 -28.184 8.516 37 HD3 ARG 8 2HD ARG 8 13.122 -28.683 6.881 38 HE ARG 8 HE ARG 8 15.892 -29.190 7.271 39 HH11 ARG 8 2HH2 ARG 8 12.800 -30.317 8.518 40 HH12 ARG 8 1HH2 ARG 8 13.387 -31.901 8.900 41 HH21 ARG 8 2HH1 ARG 8 16.666 -31.280 7.775 42 HH22 ARG 8 1HH1 ARG 8 15.601 -32.453 8.475 43 H SER 9 H SER 9 14.790 -24.032 4.396 44 HA SER 9 HA SER 9 17.654 -24.587 4.475 45 HB2 SER 9 1HB SER 9 16.271 -22.247 3.090 46 HB3 SER 9 2HB SER 9 17.990 -22.584 3.074 47 HG SER 9 HG SER 9 16.234 -23.429 1.303 48 H ALA 10 H ALA 10 17.857 -24.331 6.757 49 HA ALA 10 HA ALA 10 17.042 -21.703 7.785 50 HB1 ALA 10 1HB ALA 10 16.042 -23.742 8.850 51 HB2 ALA 10 2HB ALA 10 17.683 -24.263 9.303 52 HB3 ALA 10 3HB ALA 10 17.009 -22.760 9.975 53 H HIS 11 H HIS 11 19.618 -24.229 8.288 54 HA HIS 11 HA HIS 11 21.438 -22.477 9.408 55 HB2 HIS 11 1HB HIS 11 23.123 -24.237 8.729 56 HB3 HIS 11 2HB HIS 11 21.785 -24.776 9.724 57 HD1 HIS 11 1HD HIS 11 21.211 -27.091 8.990 58 HD2 HIS 11 2HD HIS 11 21.988 -24.558 5.738 59 HE1 HIS 11 1HE HIS 11 20.775 -28.471 6.889 60 H LEU 12 H LEU 12 23.452 -21.576 8.499 61 HA LEU 12 HA LEU 12 24.571 -20.369 7.029 62 HB2 LEU 12 1HB LEU 12 24.316 -22.702 5.817 63 HB3 LEU 12 2HB LEU 12 23.341 -21.771 4.698 64 HG LEU 12 HG LEU 12 25.505 -20.165 4.808 65 HD11 LEU 12 1HD1 LEU 12 27.332 -22.218 4.542 66 HD12 LEU 12 2HD1 LEU 12 27.174 -21.123 5.937 67 HD13 LEU 12 3HD1 LEU 12 26.370 -22.711 5.956 68 HD21 LEU 12 1HD2 LEU 12 25.372 -20.606 2.642 69 HD22 LEU 12 2HD2 LEU 12 26.150 -22.186 2.904 70 HD23 LEU 12 3HD2 LEU 12 24.377 -22.041 2.986 71 H ARG 13 H ARG 13 23.941 -18.276 7.079 72 HA ARG 13 HA ARG 13 21.317 -17.543 6.470 73 HB2 ARG 13 1HB ARG 13 23.879 -15.910 6.804 74 HB3 ARG 13 2HB ARG 13 22.305 -15.169 6.594 75 HG2 ARG 13 1HG ARG 13 21.953 -15.372 8.822 76 HG3 ARG 13 2HG ARG 13 21.938 -17.114 8.633 77 HD2 ARG 13 1HD ARG 13 23.903 -17.280 9.758 78 HD3 ARG 13 2HD ARG 13 24.694 -16.257 8.575 79 HE ARG 13 HE ARG 13 24.569 -14.482 10.085 80 HH11 ARG 13 2HH2 ARG 13 22.173 -16.898 10.981 81 HH12 ARG 13 1HH2 ARG 13 21.709 -16.082 12.438 82 HH21 ARG 13 2HH1 ARG 13 23.957 -13.406 12.006 83 HH22 ARG 13 1HH1 ARG 13 22.731 -14.083 13.024 84 H VAL 14 H VAL 14 20.516 -17.666 4.385 85 HA VAL 14 HA VAL 14 22.310 -16.790 2.231 86 HB VAL 14 HB VAL 14 21.471 -19.185 2.311 87 HG11 VAL 14 1HG1 VAL 14 19.189 -18.808 3.032 88 HG12 VAL 14 2HG1 VAL 14 18.860 -17.809 1.596 89 HG13 VAL 14 3HG1 VAL 14 19.176 -19.552 1.415 90 HG21 VAL 14 1HG2 VAL 14 22.420 -18.225 0.292 91 HG22 VAL 14 2HG2 VAL 14 21.022 -19.243 -0.130 92 HG23 VAL 14 3HG2 VAL 14 20.862 -17.470 -0.120 93 H ARG 15 H ARG 15 21.795 -14.952 1.143 94 HA ARG 15 HA ARG 15 19.543 -13.509 2.042 95 HB2 ARG 15 1HB ARG 15 21.586 -12.988 -0.173 96 HB3 ARG 15 2HB ARG 15 20.334 -11.839 0.254 97 HG2 ARG 15 1HG ARG 15 21.205 -11.876 2.646 98 HG3 ARG 15 2HG ARG 15 22.527 -12.889 2.102 99 HD2 ARG 15 1HD ARG 15 22.449 -10.691 0.283 100 HD3 ARG 15 2HD ARG 15 22.227 -9.994 1.875 101 HE ARG 15 HE ARG 15 24.405 -10.687 2.487 102 HH11 ARG 15 2HH2 ARG 15 23.500 -12.073 -0.619 103 HH12 ARG 15 1HH2 ARG 15 25.102 -12.616 -0.988 104 HH21 ARG 15 2HH1 ARG 15 26.519 -11.404 2.001 105 HH22 ARG 15 1HH1 ARG 15 26.832 -12.233 0.513 106 H GLN 16 H GLN 16 17.672 -14.749 1.408 107 HA GLN 16 HA GLN 16 17.378 -15.126 -1.457 108 HB2 GLN 16 1HB GLN 16 15.839 -16.848 -0.989 109 HB3 GLN 16 2HB GLN 16 17.027 -17.024 0.286 110 HG2 GLN 16 1HG GLN 16 15.177 -15.153 1.318 111 HG3 GLN 16 2HG GLN 16 14.179 -16.328 0.484 112 HE21 GLN 16 1HE2 GLN 16 17.275 -16.586 2.223 113 HE22 GLN 16 2HE2 GLN 16 16.784 -17.786 3.372 114 H LEU 17 H LEU 17 14.899 -14.888 -2.170 115 HA LEU 17 HA LEU 17 14.287 -12.189 -1.973 116 HB2 LEU 17 1HB LEU 17 12.789 -14.617 -2.909 117 HB3 LEU 17 2HB LEU 17 12.018 -13.044 -2.883 118 HG LEU 17 HG LEU 17 14.508 -13.797 -4.437 119 HD11 LEU 17 1HD1 LEU 17 12.477 -12.833 -6.134 120 HD12 LEU 17 2HD1 LEU 17 13.101 -14.495 -6.003 121 HD13 LEU 17 3HD1 LEU 17 11.697 -13.992 -5.031 122 HD21 LEU 17 1HD2 LEU 17 13.510 -11.201 -3.602 123 HD22 LEU 17 2HD2 LEU 17 15.036 -11.638 -4.407 124 HD23 LEU 17 3HD2 LEU 17 13.571 -11.344 -5.376 125 HA PRO 18 HA PRO 18 12.201 -11.972 1.806 126 HB2 PRO 18 1HB PRO 18 10.977 -9.544 1.528 127 HB3 PRO 18 2HB PRO 18 12.655 -9.723 2.000 128 HG2 PRO 18 1HG PRO 18 11.541 -8.888 -0.608 129 HG3 PRO 18 2HG PRO 18 13.165 -8.670 0.012 130 HD2 PRO 18 1HD PRO 18 12.315 -10.605 -1.926 131 HD3 PRO 18 2HD PRO 18 13.912 -10.461 -1.219 132 H HIS 19 H HIS 19 9.815 -10.945 2.572 133 HA HIS 19 HA HIS 19 8.001 -12.519 0.892 134 HB2 HIS 19 1HB HIS 19 8.368 -12.429 3.859 135 HB3 HIS 19 2HB HIS 19 6.745 -12.649 3.237 136 HD1 HIS 19 1HD HIS 19 6.867 -15.083 4.343 137 HD2 HIS 19 2HD HIS 19 9.469 -14.420 1.121 138 HE1 HIS 19 1HE HIS 19 7.666 -17.384 3.585 139 H ALA 20 H ALA 20 5.697 -11.759 0.954 140 HA ALA 20 HA ALA 20 5.618 -8.971 0.522 141 HB1 ALA 20 1HB ALA 20 3.791 -11.311 0.373 142 HB2 ALA 20 2HB ALA 20 3.003 -9.739 0.648 143 HB3 ALA 20 3HB ALA 20 4.040 -9.977 -0.779 144 HA PRO 21 HA PRO 21 4.403 -7.518 4.411 145 HB2 PRO 21 1HB PRO 21 2.605 -5.537 3.853 146 HB3 PRO 21 2HB PRO 21 4.338 -5.328 3.701 147 HG2 PRO 21 1HG PRO 21 2.321 -5.682 1.570 148 HG3 PRO 21 2HG PRO 21 3.954 -5.058 1.443 149 HD2 PRO 21 1HD PRO 21 3.050 -7.669 0.675 150 HD3 PRO 21 2HD PRO 21 4.702 -7.085 0.657 151 H GLU 22 H GLU 22 3.147 -7.919 6.184 152 HA GLU 22 HA GLU 22 0.738 -9.363 5.446 153 HB2 GLU 22 1HB GLU 22 2.681 -9.511 7.721 154 HB3 GLU 22 2HB GLU 22 1.010 -9.876 8.102 155 HG2 GLU 22 1HG GLU 22 1.635 -11.210 5.627 156 HG3 GLU 22 2HG GLU 22 2.947 -11.537 6.741 157 H HIS 23 H HIS 23 -1.086 -9.161 7.249 158 HA HIS 23 HA HIS 23 -2.703 -7.832 7.948 159 HB2 HIS 23 1HB HIS 23 -0.268 -7.103 9.449 160 HB3 HIS 23 2HB HIS 23 -1.553 -5.915 9.537 161 HD1 HIS 23 1HD HIS 23 -3.670 -6.518 10.885 162 HD2 HIS 23 2HD HIS 23 -0.896 -9.652 10.605 163 HE1 HIS 23 1HE HIS 23 -4.432 -8.298 12.547 164 HA PRO 24 HA PRO 24 -1.658 -4.495 4.945 165 HB2 PRO 24 1HB PRO 24 -2.855 -5.463 2.687 166 HB3 PRO 24 2HB PRO 24 -1.141 -5.631 3.010 167 HG2 PRO 24 1HG PRO 24 -3.271 -7.673 3.192 168 HG3 PRO 24 2HG PRO 24 -1.536 -7.902 3.092 169 HD2 PRO 24 1HD PRO 24 -3.166 -8.141 5.440 170 HD3 PRO 24 2HD PRO 24 -1.419 -8.255 5.360 171 H VAL 25 H VAL 25 -2.853 -2.906 5.820 172 HA VAL 25 HA VAL 25 -5.743 -3.261 5.413 173 HB VAL 25 HB VAL 25 -6.134 -2.500 7.477 174 HG11 VAL 25 1HG1 VAL 25 -4.707 -3.413 9.042 175 HG12 VAL 25 2HG1 VAL 25 -4.147 -4.235 7.566 176 HG13 VAL 25 3HG1 VAL 25 -3.243 -2.841 8.206 177 HG21 VAL 25 1HG2 VAL 25 -4.457 -0.774 8.572 178 HG22 VAL 25 2HG2 VAL 25 -3.951 -0.530 6.882 179 HG23 VAL 25 3HG2 VAL 25 -5.645 -0.252 7.354 180 H ALA 26 H ALA 26 -6.964 -1.357 4.774 181 HA ALA 26 HA ALA 26 -5.383 0.908 3.874 182 HB1 ALA 26 1HB ALA 26 -5.480 -0.863 2.027 183 HB2 ALA 26 2HB ALA 26 -7.231 -0.553 1.959 184 HB3 ALA 26 3HB ALA 26 -6.081 0.756 1.597 185 H THR 27 H THR 27 -6.405 2.469 5.053 186 HA THR 27 HA THR 27 -9.344 2.528 4.848 187 HB THR 27 HB THR 27 -8.858 3.784 7.215 188 HG1 THR 27 1HG THR 27 -6.900 1.625 6.936 189 HG21 THR 27 1HG2 THR 27 -10.245 1.643 6.825 190 HG22 THR 27 2HG2 THR 27 -8.728 0.735 7.027 191 HG23 THR 27 3HG2 THR 27 -9.368 1.709 8.372 192 H LEU 28 H LEU 28 -10.340 4.552 4.596 193 HA LEU 28 HA LEU 28 -9.072 6.313 2.945 194 HB2 LEU 28 1HB LEU 28 -11.554 6.163 4.430 195 HB3 LEU 28 2HB LEU 28 -10.970 7.813 4.350 196 HG LEU 28 HG LEU 28 -11.434 5.999 1.967 197 HD11 LEU 28 1HD1 LEU 28 -13.383 7.115 3.462 198 HD12 LEU 28 2HD1 LEU 28 -13.046 8.456 2.340 199 HD13 LEU 28 3HD1 LEU 28 -13.504 6.857 1.705 200 HD21 LEU 28 1HD2 LEU 28 -11.111 8.062 0.629 201 HD22 LEU 28 2HD2 LEU 28 -10.599 8.908 2.110 202 HD23 LEU 28 3HD2 LEU 28 -9.643 7.540 1.490 203 H SER 29 H SER 29 -8.824 8.808 3.539 204 HA SER 29 HA SER 29 -6.963 8.801 5.767 205 HB2 SER 29 1HB SER 29 -7.224 10.491 3.263 206 HB3 SER 29 2HB SER 29 -6.278 11.063 4.622 207 HG SER 29 HG SER 29 -5.707 8.410 3.936 208 H THR 30 H THR 30 -8.308 9.213 7.565 209 HA THR 30 HA THR 30 -10.350 11.219 7.432 210 HB THR 30 HB THR 30 -10.416 10.637 9.949 211 HG1 THR 30 1HG THR 30 -8.818 9.173 10.591 212 HG21 THR 30 1HG2 THR 30 -11.925 9.257 8.752 213 HG22 THR 30 2HG2 THR 30 -10.635 8.568 7.738 214 HG23 THR 30 3HG2 THR 30 -10.804 8.055 9.434 215 H VAL 31 H VAL 31 -8.363 12.636 6.465 216 HA VAL 31 HA VAL 31 -8.137 14.768 8.199 217 HB VAL 31 HB VAL 31 -6.381 12.718 8.930 218 HG11 VAL 31 1HG1 VAL 31 -4.851 14.978 7.595 219 HG12 VAL 31 2HG1 VAL 31 -4.150 13.662 8.569 220 HG13 VAL 31 3HG1 VAL 31 -4.942 13.297 7.017 221 HG21 VAL 31 1HG2 VAL 31 -6.468 15.674 9.599 222 HG22 VAL 31 2HG2 VAL 31 -7.215 14.327 10.490 223 HG23 VAL 31 3HG2 VAL 31 -5.444 14.498 10.457 224 H GLU 32 H GLU 32 -6.553 12.827 5.610 225 HA GLU 32 HA GLU 32 -6.095 15.343 4.214 226 HB2 GLU 32 1HB GLU 32 -4.514 12.906 4.533 227 HB3 GLU 32 2HB GLU 32 -4.766 13.255 2.834 228 HG2 GLU 32 1HG GLU 32 -3.378 15.062 2.891 229 HG3 GLU 32 2HG GLU 32 -4.135 15.701 4.336 230 H ARG 33 H ARG 33 -7.589 15.826 2.670 231 HA ARG 33 HA ARG 33 -9.493 13.976 1.884 232 HB2 ARG 33 1HB ARG 33 -8.644 16.602 0.560 233 HB3 ARG 33 2HB ARG 33 -10.121 15.739 0.180 234 HG2 ARG 33 1HG ARG 33 -9.767 16.195 3.086 235 HG3 ARG 33 2HG ARG 33 -9.837 17.684 2.165 236 HD2 ARG 33 1HD ARG 33 -11.934 16.609 0.993 237 HD3 ARG 33 2HD ARG 33 -11.930 15.486 2.338 238 HE ARG 33 HE ARG 33 -12.734 18.274 2.425 239 HH11 ARG 33 2HH2 ARG 33 -11.302 15.703 4.354 240 HH12 ARG 33 1HH2 ARG 33 -11.810 16.380 5.865 241 HH21 ARG 33 2HH1 ARG 33 -13.404 19.168 4.419 242 HH22 ARG 33 1HH1 ARG 33 -13.014 18.364 5.902 243 H ARG 34 H ARG 34 -9.795 12.845 -0.140 244 HA ARG 34 HA ARG 34 -9.179 11.675 -1.848 245 HB2 ARG 34 1HB ARG 34 -7.251 13.974 -2.456 246 HB3 ARG 34 2HB ARG 34 -7.745 12.747 -3.604 247 HG2 ARG 34 1HG ARG 34 -10.205 13.538 -2.958 248 HG3 ARG 34 2HG ARG 34 -9.390 14.987 -2.403 249 HD2 ARG 34 1HD ARG 34 -8.289 15.178 -4.686 250 HD3 ARG 34 2HD ARG 34 -9.244 13.809 -5.220 251 HE ARG 34 HE ARG 34 -11.186 15.468 -4.238 252 HH11 ARG 34 2HH2 ARG 34 -8.495 16.051 -6.429 253 HH12 ARG 34 1HH2 ARG 34 -9.302 17.320 -7.287 254 HH21 ARG 34 2HH1 ARG 34 -12.252 17.142 -5.370 255 HH22 ARG 34 1HH1 ARG 34 -11.454 17.945 -6.681 256 H ALA 35 H ALA 35 -7.800 11.197 0.671 257 HA ALA 35 HA ALA 35 -5.330 10.038 -0.397 258 HB1 ALA 35 1HB ALA 35 -4.055 10.787 1.456 259 HB2 ALA 35 2HB ALA 35 -4.991 12.214 0.950 260 HB3 ALA 35 3HB ALA 35 -5.505 11.269 2.368 261 H ILE 36 H ILE 36 -4.553 8.186 0.994 262 HA ILE 36 HA ILE 36 -6.676 7.040 2.629 263 HB ILE 36 HB ILE 36 -5.493 5.795 0.157 264 HG12 ILE 36 1HG1 ILE 36 -8.372 6.065 1.065 265 HG13 ILE 36 2HG1 ILE 36 -7.570 7.202 0.000 266 HG21 ILE 36 1HG2 ILE 36 -6.227 4.492 2.665 267 HG22 ILE 36 2HG2 ILE 36 -7.148 3.879 1.271 268 HG23 ILE 36 3HG2 ILE 36 -5.369 3.853 1.243 269 HD11 ILE 36 1HD1 ILE 36 -8.161 4.263 -0.515 270 HD12 ILE 36 2HD1 ILE 36 -8.700 5.677 -1.453 271 HD13 ILE 36 3HD1 ILE 36 -6.993 5.175 -1.501 272 H ASN 37 H ASN 37 -5.913 5.700 4.301 273 HA ASN 37 HA ASN 37 -3.047 5.935 4.659 274 HB2 ASN 37 1HB ASN 37 -5.389 6.032 6.417 275 HB3 ASN 37 2HB ASN 37 -4.272 4.809 6.988 276 HD21 ASN 37 1HD2 ASN 37 -5.101 7.658 7.775 277 HD22 ASN 37 2HD2 ASN 37 -3.610 8.479 8.096 278 H LEU 38 H LEU 38 -1.757 4.063 4.600 279 HA LEU 38 HA LEU 38 -3.180 1.495 4.680 280 HB2 LEU 38 1HB LEU 38 -2.435 2.275 2.388 281 HB3 LEU 38 2HB LEU 38 -0.785 2.103 2.951 282 HG LEU 38 HG LEU 38 -1.719 -0.351 3.591 283 HD11 LEU 38 1HD1 LEU 38 -3.970 0.284 2.624 284 HD12 LEU 38 2HD1 LEU 38 -3.189 0.271 1.024 285 HD13 LEU 38 3HD1 LEU 38 -3.242 -1.216 2.001 286 HD21 LEU 38 1HD2 LEU 38 0.301 0.147 2.306 287 HD22 LEU 38 2HD2 LEU 38 -0.643 -1.158 1.550 288 HD23 LEU 38 3HD2 LEU 38 -0.688 0.485 0.866 289 H THR 39 H THR 39 -2.279 -0.103 5.960 290 HA THR 39 HA THR 39 0.377 0.382 7.063 291 HB THR 39 HB THR 39 -0.354 0.620 9.269 292 HG1 THR 39 1HG THR 39 -2.520 -0.992 8.169 293 HG21 THR 39 1HG2 THR 39 -2.957 1.382 7.847 294 HG22 THR 39 2HG2 THR 39 -2.399 1.966 9.434 295 HG23 THR 39 3HG2 THR 39 -1.542 2.457 7.953 296 H TRP 40 H TRP 40 1.566 -1.426 7.090 297 HA TRP 40 HA TRP 40 0.095 -3.966 7.121 298 HB2 TRP 40 1HB TRP 40 1.664 -4.871 5.484 299 HB3 TRP 40 2HB TRP 40 0.690 -3.569 4.830 300 HD1 TRP 40 HD TRP 40 4.316 -4.499 5.497 301 HE1 TRP 40 1HE TRP 40 5.991 -2.688 4.559 302 HE3 TRP 40 3HE TRP 40 0.775 -0.999 4.466 303 HZ2 TRP 40 2HZ TRP 40 5.654 -0.053 3.516 304 HZ3 TRP 40 3HZ TRP 40 1.532 1.166 3.489 305 HH2 TRP 40 HH TRP 40 3.877 1.665 3.014 306 H THR 41 H THR 41 2.000 -5.781 7.459 307 HA THR 41 HA THR 41 3.470 -4.816 9.811 308 HB THR 41 HB THR 41 2.197 -7.424 8.942 309 HG1 THR 41 1HG THR 41 1.288 -5.719 10.428 310 HG21 THR 41 1HG2 THR 41 4.561 -8.026 9.596 311 HG22 THR 41 2HG2 THR 41 4.337 -7.127 11.116 312 HG23 THR 41 3HG2 THR 41 3.368 -8.584 10.793 313 H LYS 42 H LYS 42 5.656 -5.614 10.199 314 HA LYS 42 HA LYS 42 7.175 -5.422 7.779 315 HB2 LYS 42 1HB LYS 42 7.646 -4.465 10.186 316 HB3 LYS 42 2HB LYS 42 8.358 -6.041 10.470 317 HG2 LYS 42 1HG LYS 42 9.147 -4.770 7.889 318 HG3 LYS 42 2HG LYS 42 9.685 -3.911 9.318 319 HD2 LYS 42 1HD LYS 42 10.653 -6.080 10.203 320 HD3 LYS 42 2HD LYS 42 10.200 -6.858 8.699 321 HE2 LYS 42 1HE LYS 42 12.152 -6.156 7.785 322 HE3 LYS 42 2HE LYS 42 11.597 -4.500 7.929 323 HZ1 LYS 42 1HZ LYS 42 12.378 -5.092 10.424 324 HZ2 LYS 42 2HZ LYS 42 13.477 -5.907 9.532 325 HZ3 LYS 42 3HZ LYS 42 13.287 -4.299 9.324 326 HA PRO 43 HA PRO 43 7.126 -9.781 7.305 327 HB2 PRO 43 1HB PRO 43 8.085 -9.832 4.747 328 HB3 PRO 43 2HB PRO 43 6.383 -9.658 5.129 329 HG2 PRO 43 1HG PRO 43 8.292 -7.603 4.195 330 HG3 PRO 43 2HG PRO 43 6.540 -7.564 4.175 331 HD2 PRO 43 1HD PRO 43 8.266 -6.197 6.013 332 HD3 PRO 43 2HD PRO 43 6.515 -6.252 6.062 333 H PHE 44 H PHE 44 8.762 -11.511 6.458 334 HA PHE 44 HA PHE 44 11.249 -10.727 7.764 335 HB2 PHE 44 1HB PHE 44 10.051 -12.773 8.537 336 HB3 PHE 44 2HB PHE 44 9.939 -13.369 6.893 337 HD1 PHE 44 2HD PHE 44 12.270 -13.705 5.683 338 HD2 PHE 44 1HD PHE 44 11.737 -13.586 9.891 339 HE1 PHE 44 2HE PHE 44 14.423 -14.958 5.990 340 HE2 PHE 44 1HE PHE 44 13.890 -14.840 10.199 341 HZ PHE 44 HZ PHE 44 15.207 -15.511 8.244 342 H ASP 45 H ASP 45 13.083 -10.342 6.611 343 HA ASP 45 HA ASP 45 12.943 -10.772 3.781 344 HB2 ASP 45 1HB ASP 45 13.893 -8.685 4.997 345 HB3 ASP 45 2HB ASP 45 15.286 -9.673 5.391 346 H GLY 46 H GLY 46 14.437 -12.162 2.614 347 HA2 GLY 46 1HA GLY 46 15.061 -14.597 3.488 348 HA3 GLY 46 2HA GLY 46 16.058 -13.734 2.333 349 H ASN 47 H ASN 47 17.632 -12.024 3.419 350 HA ASN 47 HA ASN 47 18.400 -12.538 6.061 351 HB2 ASN 47 1HB ASN 47 19.648 -14.163 3.917 352 HB3 ASN 47 2HB ASN 47 20.834 -13.269 4.847 353 HD21 ASN 47 1HD2 ASN 47 19.208 -16.091 4.633 354 HD22 ASN 47 2HD2 ASN 47 19.257 -16.647 6.273 355 H SER 48 H SER 48 17.755 -10.324 4.204 356 HA SER 48 HA SER 48 20.219 -8.851 4.528 357 HB2 SER 48 1HB SER 48 19.557 -9.837 2.030 358 HB3 SER 48 2HB SER 48 18.813 -8.252 1.980 359 HG SER 48 HG SER 48 21.088 -8.331 1.245 360 HA PRO 49 HA PRO 49 17.403 -5.733 5.659 361 HB2 PRO 49 1HB PRO 49 18.783 -3.434 5.132 362 HB3 PRO 49 2HB PRO 49 19.066 -4.416 6.555 363 HG2 PRO 49 1HG PRO 49 20.713 -4.174 4.112 364 HG3 PRO 49 2HG PRO 49 21.169 -4.795 5.686 365 HD2 PRO 49 1HD PRO 49 20.577 -6.335 3.340 366 HD3 PRO 49 2HD PRO 49 20.919 -6.956 4.942 367 H LEU 50 H LEU 50 15.483 -5.198 4.854 368 HA LEU 50 HA LEU 50 14.925 -5.241 2.217 369 HB2 LEU 50 1HB LEU 50 13.643 -3.466 4.300 370 HB3 LEU 50 2HB LEU 50 12.940 -3.905 2.756 371 HG LEU 50 HG LEU 50 13.652 -5.892 4.931 372 HD11 LEU 50 1HD1 LEU 50 11.421 -4.078 4.730 373 HD12 LEU 50 2HD1 LEU 50 10.860 -5.762 4.609 374 HD13 LEU 50 3HD1 LEU 50 11.826 -5.245 6.011 375 HD21 LEU 50 1HD2 LEU 50 11.660 -6.612 2.890 376 HD22 LEU 50 2HD2 LEU 50 13.310 -6.381 2.265 377 HD23 LEU 50 3HD2 LEU 50 13.010 -7.552 3.571 378 H ILE 51 H ILE 51 14.741 -3.723 0.497 379 HA ILE 51 HA ILE 51 16.566 -1.462 0.840 380 HB ILE 51 HB ILE 51 15.752 -3.180 -1.468 381 HG12 ILE 51 1HG1 ILE 51 18.400 -2.215 -0.355 382 HG13 ILE 51 2HG1 ILE 51 17.725 -3.827 -0.218 383 HG21 ILE 51 1HG2 ILE 51 15.384 -1.204 -2.580 384 HG22 ILE 51 2HG2 ILE 51 16.548 -0.295 -1.587 385 HG23 ILE 51 3HG2 ILE 51 17.132 -1.417 -2.839 386 HD11 ILE 51 1HD1 ILE 51 17.643 -3.712 -2.874 387 HD12 ILE 51 2HD1 ILE 51 18.878 -2.451 -2.646 388 HD13 ILE 51 3HD1 ILE 51 19.167 -4.099 -2.039 389 H ARG 52 H ARG 52 13.442 -2.312 -0.817 390 HA ARG 52 HA ARG 52 12.284 0.050 0.223 391 HB2 ARG 52 1HB ARG 52 11.941 1.280 -1.802 392 HB3 ARG 52 2HB ARG 52 13.627 0.806 -1.862 393 HG2 ARG 52 1HG ARG 52 12.978 -1.192 -3.268 394 HG3 ARG 52 2HG ARG 52 11.319 -0.628 -3.261 395 HD2 ARG 52 1HD ARG 52 12.152 0.255 -5.290 396 HD3 ARG 52 2HD ARG 52 12.288 1.621 -4.201 397 HE ARG 52 HE ARG 52 14.616 1.493 -4.374 398 HH11 ARG 52 2HH2 ARG 52 13.223 -1.564 -5.420 399 HH12 ARG 52 1HH2 ARG 52 14.735 -2.214 -5.962 400 HH21 ARG 52 2HH1 ARG 52 16.610 0.637 -5.089 401 HH22 ARG 52 1HH1 ARG 52 16.674 -0.953 -5.773 402 H TYR 53 H TYR 53 9.987 0.315 -1.218 403 HA TYR 53 HA TYR 53 8.994 -2.402 -1.696 404 HB2 TYR 53 1HB TYR 53 8.108 -0.179 0.199 405 HB3 TYR 53 2HB TYR 53 6.869 -1.213 -0.485 406 HD1 TYR 53 2HD TYR 53 10.178 -1.514 1.268 407 HD2 TYR 53 1HD TYR 53 6.248 -3.107 0.706 408 HE1 TYR 53 2HE TYR 53 10.612 -3.243 3.081 409 HE2 TYR 53 1HE TYR 53 6.695 -4.831 2.521 410 HH TYR 53 HH TYR 53 8.081 -5.565 4.000 411 H ILE 54 H ILE 54 7.651 -2.581 -3.456 412 HA ILE 54 HA ILE 54 7.115 -0.081 -4.870 413 HB ILE 54 HB ILE 54 7.216 -2.962 -5.758 414 HG12 ILE 54 1HG1 ILE 54 8.963 -0.563 -6.379 415 HG13 ILE 54 2HG1 ILE 54 9.399 -1.936 -5.381 416 HG21 ILE 54 1HG2 ILE 54 5.399 -1.789 -6.925 417 HG22 ILE 54 2HG2 ILE 54 6.542 -0.517 -7.419 418 HG23 ILE 54 3HG2 ILE 54 6.750 -2.181 -8.015 419 HD11 ILE 54 1HD1 ILE 54 9.283 -1.710 -8.338 420 HD12 ILE 54 2HD1 ILE 54 10.265 -2.788 -7.317 421 HD13 ILE 54 3HD1 ILE 54 8.576 -3.210 -7.689 422 H LEU 55 H LEU 55 5.211 0.821 -4.257 423 HA LEU 55 HA LEU 55 3.013 -0.955 -3.578 424 HB2 LEU 55 1HB LEU 55 3.269 0.702 -1.986 425 HB3 LEU 55 2HB LEU 55 3.635 1.943 -3.167 426 HG LEU 55 HG LEU 55 1.100 1.409 -3.904 427 HD11 LEU 55 1HD1 LEU 55 1.136 0.862 -0.922 428 HD12 LEU 55 2HD1 LEU 55 -0.310 1.059 -1.943 429 HD13 LEU 55 3HD1 LEU 55 0.781 -0.323 -2.202 430 HD21 LEU 55 1HD2 LEU 55 0.484 3.297 -2.216 431 HD22 LEU 55 2HD2 LEU 55 2.232 3.315 -1.878 432 HD23 LEU 55 3HD2 LEU 55 1.640 3.623 -3.529 433 H GLU 56 H GLU 56 1.481 -1.527 -5.022 434 HA GLU 56 HA GLU 56 1.259 0.185 -7.375 435 HB2 GLU 56 1HB GLU 56 1.338 -2.798 -7.058 436 HB3 GLU 56 2HB GLU 56 0.265 -2.163 -8.290 437 HG2 GLU 56 1HG GLU 56 2.166 -0.866 -9.276 438 HG3 GLU 56 2HG GLU 56 3.239 -1.499 -8.044 439 H MET 57 H MET 57 -0.722 1.114 -7.735 440 HA MET 57 HA MET 57 -2.866 0.198 -6.003 441 HB2 MET 57 1HB MET 57 -2.307 2.590 -5.832 442 HB3 MET 57 2HB MET 57 -2.365 2.782 -7.573 443 HG2 MET 57 1HG MET 57 -4.835 2.128 -7.484 444 HG3 MET 57 2HG MET 57 -4.726 2.163 -5.735 445 HE1 MET 57 1HE MET 57 -3.745 3.801 -8.847 446 HE2 MET 57 2HE MET 57 -5.071 4.988 -8.900 447 HE3 MET 57 3HE MET 57 -3.431 5.504 -8.437 448 H SER 58 H SER 58 -4.928 -0.385 -6.818 449 HA SER 58 HA SER 58 -5.031 -0.563 -9.727 450 HB2 SER 58 1HB SER 58 -4.722 -2.811 -9.056 451 HB3 SER 58 2HB SER 58 -5.706 -2.625 -7.619 452 HG SER 58 HG SER 58 -6.896 -2.295 -10.213 453 H GLU 59 H GLU 59 -6.425 1.154 -10.171 454 HA GLU 59 HA GLU 59 -8.471 1.922 -8.466 455 HB2 GLU 59 1HB GLU 59 -7.279 3.101 -10.546 456 HB3 GLU 59 2HB GLU 59 -8.638 2.440 -11.433 457 HG2 GLU 59 1HG GLU 59 -9.997 3.489 -9.326 458 HG3 GLU 59 2HG GLU 59 -8.607 4.554 -9.298 459 H ASN 60 H ASN 60 -10.620 2.181 -10.571 460 HA ASN 60 HA ASN 60 -11.990 -0.153 -9.893 461 HB2 ASN 60 1HB ASN 60 -12.484 2.307 -11.510 462 HB3 ASN 60 2HB ASN 60 -13.396 0.911 -12.050 463 HD21 ASN 60 1HD2 ASN 60 -14.018 3.487 -10.569 464 HD22 ASN 60 2HD2 ASN 60 -14.973 3.012 -9.205 465 H ASN 61 H ASN 61 -10.867 -2.019 -10.725 466 HA ASN 61 HA ASN 61 -10.429 -3.576 -12.174 467 HB2 ASN 61 1HB ASN 61 -12.561 -2.190 -13.432 468 HB3 ASN 61 2HB ASN 61 -11.350 -2.340 -14.690 469 HD21 ASN 61 1HD2 ASN 61 -11.066 -4.210 -15.698 470 HD22 ASN 61 2HD2 ASN 61 -11.819 -5.716 -15.294 471 H ALA 62 H ALA 62 -8.870 -0.887 -11.832 472 HA ALA 62 HA ALA 62 -7.525 -0.582 -14.360 473 HB1 ALA 62 1HB ALA 62 -6.070 0.862 -12.568 474 HB2 ALA 62 2HB ALA 62 -7.553 1.463 -13.348 475 HB3 ALA 62 3HB ALA 62 -7.627 0.770 -11.711 476 HA PRO 63 HA PRO 63 -4.374 -3.426 -13.520 477 HB2 PRO 63 1HB PRO 63 -2.406 -2.527 -15.190 478 HB3 PRO 63 2HB PRO 63 -3.756 -3.502 -15.737 479 HG2 PRO 63 1HG PRO 63 -3.295 -0.604 -16.099 480 HG3 PRO 63 2HG PRO 63 -4.384 -1.661 -16.976 481 HD2 PRO 63 1HD PRO 63 -5.094 0.222 -14.931 482 HD3 PRO 63 2HD PRO 63 -6.164 -0.916 -15.725 483 H TRP 64 H TRP 64 -2.634 -3.899 -12.204 484 HA TRP 64 HA TRP 64 -2.099 -2.103 -10.222 485 HB2 TRP 64 1HB TRP 64 -0.333 -4.310 -11.294 486 HB3 TRP 64 2HB TRP 64 -0.086 -3.482 -9.769 487 HD1 TRP 64 HD TRP 64 -1.560 -6.581 -10.951 488 HE1 TRP 64 1HE TRP 64 -3.319 -7.661 -9.308 489 HE3 TRP 64 3HE TRP 64 -2.240 -2.422 -8.105 490 HZ2 TRP 64 2HZ TRP 64 -4.766 -6.678 -7.053 491 HZ3 TRP 64 3HZ TRP 64 -3.844 -2.567 -6.202 492 HH2 TRP 64 HH TRP 64 -5.084 -4.602 -5.658 493 H THR 65 H THR 65 -1.384 -0.025 -10.506 494 HA THR 65 HA THR 65 0.737 0.395 -12.503 495 HB THR 65 HB THR 65 -1.687 1.553 -12.494 496 HG1 THR 65 1HG THR 65 -0.463 3.364 -13.483 497 HG21 THR 65 1HG2 THR 65 -1.619 3.747 -11.392 498 HG22 THR 65 2HG2 THR 65 -1.376 2.499 -10.146 499 HG23 THR 65 3HG2 THR 65 0.015 3.422 -10.765 500 H VAL 66 H VAL 66 2.745 0.651 -11.777 501 HA VAL 66 HA VAL 66 3.376 0.708 -9.086 502 HB VAL 66 HB VAL 66 4.912 1.578 -11.539 503 HG11 VAL 66 1HG1 VAL 66 6.163 2.621 -9.903 504 HG12 VAL 66 2HG1 VAL 66 5.718 1.437 -8.651 505 HG13 VAL 66 3HG1 VAL 66 6.901 1.002 -9.908 506 HG21 VAL 66 1HG2 VAL 66 4.046 -0.935 -10.792 507 HG22 VAL 66 2HG2 VAL 66 5.415 -0.584 -11.875 508 HG23 VAL 66 3HG2 VAL 66 5.703 -0.881 -10.144 509 H LEU 67 H LEU 67 2.467 2.237 -7.755 510 HA LEU 67 HA LEU 67 2.382 4.984 -8.649 511 HB2 LEU 67 1HB LEU 67 1.106 3.333 -6.588 512 HB3 LEU 67 2HB LEU 67 1.536 4.940 -6.037 513 HG LEU 67 HG LEU 67 -0.257 4.229 -8.371 514 HD11 LEU 67 1HD1 LEU 67 -1.072 5.931 -6.047 515 HD12 LEU 67 2HD1 LEU 67 -2.051 4.880 -7.098 516 HD13 LEU 67 3HD1 LEU 67 -1.002 4.163 -5.851 517 HD21 LEU 67 1HD2 LEU 67 0.946 6.868 -7.562 518 HD22 LEU 67 2HD2 LEU 67 0.839 6.121 -9.174 519 HD23 LEU 67 3HD2 LEU 67 -0.622 6.783 -8.401 520 H LEU 68 H LEU 68 3.687 3.234 -5.737 521 HA LEU 68 HA LEU 68 5.748 5.322 -5.627 522 HB2 LEU 68 1HB LEU 68 3.974 4.258 -3.661 523 HB3 LEU 68 2HB LEU 68 5.611 3.818 -3.217 524 HG LEU 68 HG LEU 68 4.758 6.650 -3.867 525 HD11 LEU 68 1HD1 LEU 68 3.514 5.795 -1.921 526 HD12 LEU 68 2HD1 LEU 68 5.054 5.374 -1.134 527 HD13 LEU 68 3HD1 LEU 68 4.667 7.077 -1.479 528 HD21 LEU 68 1HD2 LEU 68 7.002 6.533 -2.134 529 HD22 LEU 68 2HD2 LEU 68 7.311 5.416 -3.486 530 HD23 LEU 68 3HD2 LEU 68 6.922 7.122 -3.812 531 H ALA 69 H ALA 69 7.607 4.660 -6.561 532 HA ALA 69 HA ALA 69 8.202 1.813 -6.560 533 HB1 ALA 69 1HB ALA 69 8.583 3.996 -8.349 534 HB2 ALA 69 2HB ALA 69 10.200 3.457 -7.836 535 HB3 ALA 69 3HB ALA 69 9.068 2.298 -8.574 536 H SER 70 H SER 70 9.311 4.940 -5.218 537 HA SER 70 HA SER 70 11.434 3.484 -3.864 538 HB2 SER 70 1HB SER 70 12.631 5.268 -4.602 539 HB3 SER 70 2HB SER 70 11.188 6.186 -4.986 540 HG SER 70 HG SER 70 12.188 5.853 -2.289 541 H VAL 71 H VAL 71 10.536 2.630 -1.987 542 HA VAL 71 HA VAL 71 9.184 4.569 -0.245 543 HB VAL 71 HB VAL 71 8.449 1.722 -0.902 544 HG11 VAL 71 1HG1 VAL 71 8.214 1.558 1.382 545 HG12 VAL 71 2HG1 VAL 71 7.907 3.298 1.589 546 HG13 VAL 71 3HG1 VAL 71 6.628 2.239 0.947 547 HG21 VAL 71 1HG2 VAL 71 6.149 3.227 -0.813 548 HG22 VAL 71 2HG2 VAL 71 7.338 4.394 -1.440 549 HG23 VAL 71 3HG2 VAL 71 7.077 2.848 -2.284 550 H ASP 72 H ASP 72 9.588 4.299 2.032 551 HA ASP 72 HA ASP 72 12.202 3.461 2.536 552 HB2 ASP 72 1HB ASP 72 9.981 4.734 3.976 553 HB3 ASP 72 2HB ASP 72 10.836 3.611 5.014 554 HA PRO 73 HA PRO 73 11.256 -0.724 3.507 555 HB2 PRO 73 1HB PRO 73 13.652 -1.489 4.577 556 HB3 PRO 73 2HB PRO 73 13.348 -1.430 2.852 557 HG2 PRO 73 1HG PRO 73 14.916 0.438 4.523 558 HG3 PRO 73 2HG PRO 73 14.947 0.231 2.783 559 HD2 PRO 73 1HD PRO 73 13.672 2.349 4.237 560 HD3 PRO 73 2HD PRO 73 13.605 2.077 2.507 561 H LYS 74 H LYS 74 12.223 1.564 5.861 562 HA LYS 74 HA LYS 74 11.450 -0.239 8.004 563 HB2 LYS 74 1HB LYS 74 13.047 2.230 7.749 564 HB3 LYS 74 2HB LYS 74 12.034 2.171 9.177 565 HG2 LYS 74 1HG LYS 74 13.521 0.771 10.156 566 HG3 LYS 74 2HG LYS 74 13.177 -0.433 8.930 567 HD2 LYS 74 1HD LYS 74 15.340 1.710 8.873 568 HD3 LYS 74 2HD LYS 74 15.557 -0.029 8.854 569 HE2 LYS 74 1HE LYS 74 14.092 0.131 6.616 570 HE3 LYS 74 2HE LYS 74 14.645 1.794 6.620 571 HZ1 LYS 74 1HZ LYS 74 16.089 -0.545 6.012 572 HZ2 LYS 74 2HZ LYS 74 16.492 1.013 5.738 573 HZ3 LYS 74 3HZ LYS 74 16.859 0.314 7.167 574 H ALA 75 H ALA 75 9.723 1.248 5.755 575 HA ALA 75 HA ALA 75 7.833 2.490 7.619 576 HB1 ALA 75 1HB ALA 75 7.227 3.886 5.906 577 HB2 ALA 75 2HB ALA 75 8.865 3.493 5.330 578 HB3 ALA 75 3HB ALA 75 7.456 2.634 4.661 579 H THR 76 H THR 76 5.908 1.509 8.080 580 HA THR 76 HA THR 76 5.279 -0.901 6.505 581 HB THR 76 HB THR 76 4.015 -1.367 8.824 582 HG1 THR 76 1HG THR 76 4.586 0.762 9.664 583 HG21 THR 76 1HG2 THR 76 6.813 -1.615 9.539 584 HG22 THR 76 2HG2 THR 76 5.686 -2.905 9.052 585 HG23 THR 76 3HG2 THR 76 6.631 -2.035 7.819 586 H SER 77 H SER 77 4.430 2.312 6.964 587 HA SER 77 HA SER 77 1.772 1.683 5.987 588 HB2 SER 77 1HB SER 77 0.974 3.737 7.365 589 HB3 SER 77 2HB SER 77 1.216 2.224 8.214 590 HG SER 77 HG SER 77 3.007 3.002 9.219 591 H VAL 78 H VAL 78 0.895 3.324 4.541 592 HA VAL 78 HA VAL 78 2.659 5.554 3.929 593 HB VAL 78 HB VAL 78 3.300 3.528 2.552 594 HG11 VAL 78 1HG1 VAL 78 0.694 4.112 1.109 595 HG12 VAL 78 2HG1 VAL 78 1.901 2.868 0.705 596 HG13 VAL 78 3HG1 VAL 78 0.950 2.731 2.203 597 HG21 VAL 78 1HG2 VAL 78 2.722 6.272 1.652 598 HG22 VAL 78 2HG2 VAL 78 4.204 5.297 1.496 599 HG23 VAL 78 3HG2 VAL 78 2.873 5.088 0.332 600 H THR 79 H THR 79 1.560 7.290 2.823 601 HA THR 79 HA THR 79 -1.371 6.974 2.856 602 HB THR 79 HB THR 79 0.367 9.376 3.634 603 HG1 THR 79 1HG THR 79 -1.442 7.513 5.008 604 HG21 THR 79 1HG2 THR 79 -2.204 9.522 2.637 605 HG22 THR 79 2HG2 THR 79 -2.528 9.209 4.359 606 HG23 THR 79 3HG2 THR 79 -1.564 10.626 3.877 607 H VAL 80 H VAL 80 -2.139 6.883 0.844 608 HA VAL 80 HA VAL 80 -0.624 8.073 -1.293 609 HB VAL 80 HB VAL 80 -3.334 6.747 -1.391 610 HG11 VAL 80 1HG1 VAL 80 -2.530 6.120 -3.698 611 HG12 VAL 80 2HG1 VAL 80 -2.812 7.859 -3.445 612 HG13 VAL 80 3HG1 VAL 80 -1.152 7.216 -3.443 613 HG21 VAL 80 1HG2 VAL 80 -2.289 4.940 -0.532 614 HG22 VAL 80 2HG2 VAL 80 -1.589 4.796 -2.162 615 HG23 VAL 80 3HG2 VAL 80 -0.665 5.590 -0.864 616 H LYS 81 H LYS 81 -1.403 9.746 -2.713 617 HA LYS 81 HA LYS 81 -3.738 11.206 -1.791 618 HB2 LYS 81 1HB LYS 81 -0.944 12.371 -1.851 619 HB3 LYS 81 2HB LYS 81 -2.393 13.356 -1.863 620 HG2 LYS 81 1HG LYS 81 -3.122 12.437 0.286 621 HG3 LYS 81 2HG LYS 81 -1.841 11.242 0.268 622 HD2 LYS 81 1HD LYS 81 -0.693 13.898 -0.069 623 HD3 LYS 81 2HD LYS 81 -1.738 13.889 1.337 624 HE2 LYS 81 1HE LYS 81 -0.400 11.490 1.664 625 HE3 LYS 81 2HE LYS 81 0.836 12.457 0.884 626 HZ1 LYS 81 1HZ LYS 81 -0.062 14.176 2.658 627 HZ2 LYS 81 2HZ LYS 81 -0.367 12.795 3.473 628 HZ3 LYS 81 3HZ LYS 81 1.152 13.132 2.977 629 H GLY 82 H GLY 82 -4.621 12.617 -3.432 630 HA2 GLY 82 1HA GLY 82 -4.702 13.514 -5.567 631 HA3 GLY 82 2HA GLY 82 -3.350 12.515 -6.062 632 H LEU 83 H LEU 83 -6.028 11.103 -4.201 633 HA LEU 83 HA LEU 83 -6.568 9.328 -6.401 634 HB2 LEU 83 1HB LEU 83 -7.026 9.418 -3.509 635 HB3 LEU 83 2HB LEU 83 -8.379 8.761 -4.408 636 HG LEU 83 HG LEU 83 -7.106 6.971 -5.266 637 HD11 LEU 83 1HD1 LEU 83 -5.103 7.668 -6.070 638 HD12 LEU 83 2HD1 LEU 83 -4.774 8.720 -4.672 639 HD13 LEU 83 3HD1 LEU 83 -4.534 6.961 -4.539 640 HD21 LEU 83 1HD2 LEU 83 -6.742 5.766 -3.369 641 HD22 LEU 83 2HD2 LEU 83 -5.814 7.065 -2.581 642 HD23 LEU 83 3HD2 LEU 83 -7.590 7.159 -2.656 643 H VAL 84 H VAL 84 -8.799 8.937 -7.202 644 HA VAL 84 HA VAL 84 -10.123 11.504 -7.560 645 HB VAL 84 HB VAL 84 -10.287 8.834 -8.959 646 HG11 VAL 84 1HG1 VAL 84 -12.369 10.709 -8.740 647 HG12 VAL 84 2HG1 VAL 84 -11.648 10.988 -10.343 648 HG13 VAL 84 3HG1 VAL 84 -12.239 9.368 -9.902 649 HG21 VAL 84 1HG2 VAL 84 -9.316 9.999 -10.843 650 HG22 VAL 84 2HG2 VAL 84 -9.394 11.552 -9.975 651 HG23 VAL 84 3HG2 VAL 84 -8.297 10.269 -9.408 652 HA PRO 85 HA PRO 85 -13.219 10.316 -4.758 653 HB2 PRO 85 1HB PRO 85 -14.944 12.399 -5.148 654 HB3 PRO 85 2HB PRO 85 -13.547 12.496 -4.094 655 HG2 PRO 85 1HG PRO 85 -13.921 13.657 -6.787 656 HG3 PRO 85 2HG PRO 85 -12.741 14.082 -5.563 657 HD2 PRO 85 1HD PRO 85 -12.278 12.525 -7.927 658 HD3 PRO 85 2HD PRO 85 -11.128 12.852 -6.646 659 H ALA 86 H ALA 86 -15.054 9.082 -4.629 660 HA ALA 86 HA ALA 86 -16.852 8.018 -5.388 661 HB1 ALA 86 1HB ALA 86 -16.976 10.453 -6.750 662 HB2 ALA 86 2HB ALA 86 -17.113 9.236 -8.041 663 HB3 ALA 86 3HB ALA 86 -18.258 9.220 -6.679 664 H ARG 87 H ARG 87 -14.339 6.885 -5.612 665 HA ARG 87 HA ARG 87 -14.816 5.142 -7.803 666 HB2 ARG 87 1HB ARG 87 -12.518 7.100 -7.806 667 HB3 ARG 87 2HB ARG 87 -12.196 5.482 -8.399 668 HG2 ARG 87 1HG ARG 87 -14.330 5.787 -9.870 669 HG3 ARG 87 2HG ARG 87 -14.221 7.489 -9.464 670 HD2 ARG 87 1HD ARG 87 -11.807 7.452 -10.315 671 HD3 ARG 87 2HD ARG 87 -12.091 5.817 -10.879 672 HE ARG 87 HE ARG 87 -14.184 7.526 -11.859 673 HH11 ARG 87 2HH2 ARG 87 -10.766 6.844 -12.343 674 HH12 ARG 87 1HH2 ARG 87 -10.767 7.354 -13.998 675 HH21 ARG 87 2HH1 ARG 87 -14.186 8.200 -14.043 676 HH22 ARG 87 1HH1 ARG 87 -12.725 8.131 -14.971 677 H SER 88 H SER 88 -13.706 3.091 -7.509 678 HA SER 88 HA SER 88 -12.905 2.699 -4.803 679 HB2 SER 88 1HB SER 88 -13.288 0.866 -7.195 680 HB3 SER 88 2HB SER 88 -12.603 0.266 -5.698 681 HG SER 88 HG SER 88 -14.777 1.644 -4.969 682 H TYR 89 H TYR 89 -10.827 1.694 -4.162 683 HA TYR 89 HA TYR 89 -8.713 1.824 -6.160 684 HB2 TYR 89 1HB TYR 89 -9.103 3.470 -3.612 685 HB3 TYR 89 2HB TYR 89 -7.469 3.077 -4.112 686 HD1 TYR 89 2HD TYR 89 -7.030 3.577 -6.748 687 HD2 TYR 89 1HD TYR 89 -9.943 5.519 -4.290 688 HE1 TYR 89 2HE TYR 89 -7.039 5.572 -8.323 689 HE2 TYR 89 1HE TYR 89 -9.942 7.508 -5.873 690 HH TYR 89 HH TYR 89 -7.787 7.561 -8.699 691 H GLN 90 H GLN 90 -7.134 0.280 -5.837 692 HA GLN 90 HA GLN 90 -7.303 -1.132 -3.289 693 HB2 GLN 90 1HB GLN 90 -7.202 -2.203 -6.112 694 HB3 GLN 90 2HB GLN 90 -6.485 -3.147 -4.822 695 HG2 GLN 90 1HG GLN 90 -8.608 -3.188 -3.587 696 HG3 GLN 90 2HG GLN 90 -9.342 -2.076 -4.726 697 HE21 GLN 90 1HE2 GLN 90 -10.223 -4.702 -3.988 698 HE22 GLN 90 2HE2 GLN 90 -10.255 -5.687 -5.412 699 H PHE 91 H PHE 91 -5.380 -1.324 -2.188 700 HA PHE 91 HA PHE 91 -2.979 -0.535 -3.678 701 HB2 PHE 91 1HB PHE 91 -3.820 -0.433 -0.721 702 HB3 PHE 91 2HB PHE 91 -2.201 -0.026 -1.252 703 HD1 PHE 91 2HD PHE 91 -2.287 1.725 -3.366 704 HD2 PHE 91 1HD PHE 91 -5.176 1.365 -0.279 705 HE1 PHE 91 2HE PHE 91 -3.015 4.093 -3.771 706 HE2 PHE 91 1HE PHE 91 -5.904 3.733 -0.684 707 HZ PHE 91 HZ PHE 91 -4.815 5.068 -2.425 708 H ARG 92 H ARG 92 -0.940 -1.626 -3.116 709 HA ARG 92 HA ARG 92 -0.841 -3.787 -1.424 710 HB2 ARG 92 1HB ARG 92 -0.658 -5.630 -3.229 711 HB3 ARG 92 2HB ARG 92 -2.276 -5.071 -2.854 712 HG2 ARG 92 1HG ARG 92 -2.544 -4.008 -4.899 713 HG3 ARG 92 2HG ARG 92 -0.851 -3.571 -5.022 714 HD2 ARG 92 1HD ARG 92 -0.840 -6.397 -5.117 715 HD3 ARG 92 2HD ARG 92 -2.238 -5.943 -6.072 716 HE ARG 92 HE ARG 92 -0.268 -4.209 -6.970 717 HH11 ARG 92 2HH2 ARG 92 -0.489 -7.707 -6.652 718 HH12 ARG 92 1HH2 ARG 92 0.578 -8.023 -7.980 719 HH21 ARG 92 2HH1 ARG 92 1.139 -4.625 -8.721 720 HH22 ARG 92 1HH1 ARG 92 1.510 -6.258 -9.164 721 H LEU 93 H LEU 93 1.321 -3.627 -0.918 722 HA LEU 93 HA LEU 93 3.158 -3.044 -3.134 723 HB2 LEU 93 1HB LEU 93 4.639 -2.102 -1.406 724 HB3 LEU 93 2HB LEU 93 3.128 -1.237 -1.602 725 HG LEU 93 HG LEU 93 3.486 -3.298 0.574 726 HD11 LEU 93 1HD1 LEU 93 3.767 -0.536 1.464 727 HD12 LEU 93 2HD1 LEU 93 4.743 -1.973 1.849 728 HD13 LEU 93 3HD1 LEU 93 5.079 -1.039 0.372 729 HD21 LEU 93 1HD2 LEU 93 1.368 -2.816 1.011 730 HD22 LEU 93 2HD2 LEU 93 1.830 -1.128 1.336 731 HD23 LEU 93 3HD2 LEU 93 1.339 -1.617 -0.304 732 H CYS 94 H CYS 94 5.472 -3.936 -2.637 733 HA CYS 94 HA CYS 94 5.183 -6.584 -1.424 734 HB2 CYS 94 1HB CYS 94 6.832 -7.349 -3.256 735 HB3 CYS 94 2HB CYS 94 5.143 -7.161 -3.683 736 HG CYS 94 HG CYS 94 7.270 -4.652 -3.866 737 H ALA 95 H ALA 95 7.639 -7.507 -1.211 738 HA ALA 95 HA ALA 95 9.127 -5.328 0.062 739 HB1 ALA 95 1HB ALA 95 9.249 -8.349 0.432 740 HB2 ALA 95 2HB ALA 95 10.199 -7.153 1.345 741 HB3 ALA 95 3HB ALA 95 8.427 -7.195 1.510 742 H VAL 96 H VAL 96 10.902 -4.555 -0.960 743 HA VAL 96 HA VAL 96 12.172 -6.346 -2.915 744 HB VAL 96 HB VAL 96 11.722 -3.362 -2.924 745 HG11 VAL 96 1HG1 VAL 96 13.857 -4.955 -4.209 746 HG12 VAL 96 2HG1 VAL 96 12.973 -3.858 -5.297 747 HG13 VAL 96 3HG1 VAL 96 13.778 -3.214 -3.847 748 HG21 VAL 96 1HG2 VAL 96 11.084 -5.357 -5.105 749 HG22 VAL 96 2HG2 VAL 96 9.954 -5.020 -3.772 750 HG23 VAL 96 3HG2 VAL 96 10.446 -3.712 -4.874 751 H ASN 97 H ASN 97 14.293 -6.841 -2.581 752 HA ASN 97 HA ASN 97 15.782 -5.073 -0.837 753 HB2 ASN 97 1HB ASN 97 16.718 -7.067 0.387 754 HB3 ASN 97 2HB ASN 97 14.996 -6.878 0.648 755 HD21 ASN 97 1HD2 ASN 97 16.061 -9.256 1.166 756 HD22 ASN 97 2HD2 ASN 97 15.627 -10.449 -0.012 757 H ASP 98 H ASP 98 18.249 -5.861 -0.901 758 HA ASP 98 HA ASP 98 19.252 -5.627 -3.321 759 HB2 ASP 98 1HB ASP 98 20.465 -5.883 -1.062 760 HB3 ASP 98 2HB ASP 98 20.401 -7.616 -1.314 761 H VAL 99 H VAL 99 17.997 -8.631 -1.792 762 HA VAL 99 HA VAL 99 18.954 -10.479 -3.629 763 HB VAL 99 HB VAL 99 16.356 -10.531 -2.082 764 HG11 VAL 99 1HG1 VAL 99 17.679 -13.068 -2.254 765 HG12 VAL 99 2HG1 VAL 99 16.080 -12.595 -2.876 766 HG13 VAL 99 3HG1 VAL 99 17.527 -12.390 -3.893 767 HG21 VAL 99 1HG2 VAL 99 18.015 -10.039 -0.473 768 HG22 VAL 99 2HG2 VAL 99 17.790 -11.803 -0.386 769 HG23 VAL 99 3HG2 VAL 99 19.199 -11.127 -1.237 770 H GLY 100 H GLY 100 15.745 -8.772 -3.516 771 HA2 GLY 100 1HA GLY 100 15.443 -7.954 -6.021 772 HA3 GLY 100 2HA GLY 100 15.176 -9.674 -6.229 773 H LYS 101 H LYS 101 13.020 -8.341 -6.917 774 HA LYS 101 HA LYS 101 11.341 -7.558 -4.780 775 HB2 LYS 101 1HB LYS 101 11.260 -6.824 -7.227 776 HB3 LYS 101 2HB LYS 101 10.477 -8.355 -7.567 777 HG2 LYS 101 1HG LYS 101 8.500 -7.705 -6.606 778 HG3 LYS 101 2HG LYS 101 9.298 -6.944 -5.244 779 HD2 LYS 101 1HD LYS 101 8.064 -5.308 -6.707 780 HD3 LYS 101 2HD LYS 101 9.767 -4.931 -6.538 781 HE2 LYS 101 1HE LYS 101 8.942 -4.752 -8.914 782 HE3 LYS 101 2HE LYS 101 10.277 -5.873 -8.731 783 HZ1 LYS 101 1HZ LYS 101 7.431 -6.561 -8.942 784 HZ2 LYS 101 2HZ LYS 101 8.611 -6.896 -10.021 785 HZ3 LYS 101 3HZ LYS 101 8.592 -7.648 -8.571 786 H GLY 102 H GLY 102 9.666 -8.665 -3.731 787 HA2 GLY 102 1HA GLY 102 9.870 -11.594 -3.934 788 HA3 GLY 102 2HA GLY 102 9.285 -10.676 -2.561 789 H GLN 103 H GLN 103 7.096 -10.284 -2.346 790 HA GLN 103 HA GLN 103 5.486 -10.615 -4.737 791 HB2 GLN 103 1HB GLN 103 3.817 -11.938 -3.316 792 HB3 GLN 103 2HB GLN 103 5.285 -12.785 -3.764 793 HG2 GLN 103 1HG GLN 103 5.522 -11.269 -1.222 794 HG3 GLN 103 2HG GLN 103 4.306 -12.530 -1.172 795 HE21 GLN 103 1HE2 GLN 103 4.896 -14.691 -1.739 796 HE22 GLN 103 2HE2 GLN 103 6.512 -15.269 -1.497 797 H PHE 104 H PHE 104 3.192 -9.755 -4.392 798 HA PHE 104 HA PHE 104 3.388 -7.394 -2.690 799 HB2 PHE 104 1HB PHE 104 1.556 -8.302 -4.989 800 HB3 PHE 104 2HB PHE 104 1.342 -6.774 -4.157 801 HD1 PHE 104 1HD PHE 104 3.996 -8.686 -5.960 802 HD2 PHE 104 2HD PHE 104 2.325 -4.891 -5.059 803 HE1 PHE 104 1HE PHE 104 5.615 -7.598 -7.540 804 HE2 PHE 104 2HE PHE 104 3.944 -3.803 -6.639 805 HZ PHE 104 HZ PHE 104 5.569 -5.169 -7.861 806 H SER 105 H SER 105 1.756 -6.833 -1.175 807 HA SER 105 HA SER 105 0.543 -9.061 0.030 808 HB2 SER 105 1HB SER 105 -0.546 -7.218 1.479 809 HB3 SER 105 2HB SER 105 1.202 -7.331 1.506 810 HG SER 105 HG SER 105 -0.411 -5.447 0.014 811 H LYS 106 H LYS 106 -1.730 -9.564 0.228 812 HA LYS 106 HA LYS 106 -3.226 -9.476 -2.010 813 HB2 LYS 106 1HB LYS 106 -3.792 -9.862 0.880 814 HB3 LYS 106 2HB LYS 106 -5.180 -9.512 -0.130 815 HG2 LYS 106 1HG LYS 106 -4.791 -11.950 -0.016 816 HG3 LYS 106 2HG LYS 106 -4.575 -11.374 -1.657 817 HD2 LYS 106 1HD LYS 106 -2.695 -12.776 -1.324 818 HD3 LYS 106 2HD LYS 106 -2.045 -11.168 -1.074 819 HE2 LYS 106 1HE LYS 106 -1.908 -11.432 1.270 820 HE3 LYS 106 2HE LYS 106 -3.145 -12.673 1.310 821 HZ1 LYS 106 1HZ LYS 106 -1.045 -13.679 1.602 822 HZ2 LYS 106 2HZ LYS 106 -1.566 -14.112 0.116 823 HZ3 LYS 106 3HZ LYS 106 -0.413 -12.967 0.275 824 H ASP 107 H ASP 107 -5.342 -8.292 -2.448 825 HA ASP 107 HA ASP 107 -4.735 -5.525 -2.421 826 HB2 ASP 107 1HB ASP 107 -7.256 -7.003 -3.314 827 HB3 ASP 107 2HB ASP 107 -6.896 -5.326 -3.674 828 H THR 108 H THR 108 -5.146 -4.331 -0.549 829 HA THR 108 HA THR 108 -6.618 -5.090 1.605 830 HB THR 108 HB THR 108 -6.691 -2.582 2.059 831 HG1 THR 108 1HG THR 108 -7.029 -2.064 -0.252 832 HG21 THR 108 1HG2 THR 108 -4.022 -2.682 0.870 833 HG22 THR 108 2HG2 THR 108 -4.470 -2.674 2.592 834 HG23 THR 108 3HG2 THR 108 -4.378 -4.214 1.704 835 H GLU 109 H GLU 109 -8.707 -4.501 2.474 836 HA GLU 109 HA GLU 109 -10.762 -5.254 0.951 837 HB2 GLU 109 1HB GLU 109 -10.408 -3.941 3.509 838 HB3 GLU 109 2HB GLU 109 -11.810 -3.255 2.712 839 HG2 GLU 109 1HG GLU 109 -12.760 -5.520 2.362 840 HG3 GLU 109 2HG GLU 109 -11.331 -6.252 3.065 841 H ARG 110 H ARG 110 -12.057 -4.417 -0.662 842 HA ARG 110 HA ARG 110 -11.321 -2.469 -2.249 843 HB2 ARG 110 1HB ARG 110 -13.515 -4.050 -2.138 844 HB3 ARG 110 2HB ARG 110 -14.281 -2.550 -1.656 845 HG2 ARG 110 1HG ARG 110 -13.098 -1.494 -3.735 846 HG3 ARG 110 2HG ARG 110 -12.805 -3.143 -4.250 847 HD2 ARG 110 1HD ARG 110 -15.614 -2.502 -3.401 848 HD3 ARG 110 2HD ARG 110 -15.069 -1.764 -4.894 849 HE ARG 110 HE ARG 110 -15.704 -4.552 -4.509 850 HH11 ARG 110 2HH2 ARG 110 -13.478 -2.443 -6.236 851 HH12 ARG 110 1HH2 ARG 110 -13.209 -3.570 -7.524 852 HH21 ARG 110 2HH1 ARG 110 -15.349 -6.038 -6.207 853 HH22 ARG 110 1HH1 ARG 110 -14.281 -5.629 -7.507 854 H VAL 111 H VAL 111 -10.607 -0.425 -1.661 855 HA VAL 111 HA VAL 111 -12.162 1.027 0.339 856 HB VAL 111 HB VAL 111 -9.467 1.650 -0.882 857 HG11 VAL 111 1HG1 VAL 111 -10.144 3.667 0.003 858 HG12 VAL 111 2HG1 VAL 111 -11.142 2.906 1.266 859 HG13 VAL 111 3HG1 VAL 111 -9.369 2.930 1.427 860 HG21 VAL 111 1HG2 VAL 111 -10.260 -0.029 1.482 861 HG22 VAL 111 2HG2 VAL 111 -9.014 -0.322 0.246 862 HG23 VAL 111 3HG2 VAL 111 -8.736 0.889 1.520 863 H SER 112 H SER 112 -13.634 2.513 -0.290 864 HA SER 112 HA SER 112 -13.372 3.477 -3.027 865 HB2 SER 112 1HB SER 112 -15.464 2.417 -2.903 866 HB3 SER 112 2HB SER 112 -15.736 2.906 -1.242 867 HG SER 112 HG SER 112 -16.066 4.423 -3.653 868 H LEU 113 H LEU 113 -13.520 5.750 -3.446 869 HA LEU 113 HA LEU 113 -12.995 7.372 -1.083 870 HB2 LEU 113 1HB LEU 113 -11.871 7.224 -3.636 871 HB3 LEU 113 2HB LEU 113 -12.794 8.714 -3.645 872 HG LEU 113 HG LEU 113 -11.434 8.790 -1.208 873 HD11 LEU 113 1HD1 LEU 113 -9.031 8.545 -2.533 874 HD12 LEU 113 2HD1 LEU 113 -9.713 7.378 -1.374 875 HD13 LEU 113 3HD1 LEU 113 -9.953 7.141 -3.121 876 HD21 LEU 113 1HD2 LEU 113 -11.580 10.263 -3.686 877 HD22 LEU 113 2HD2 LEU 113 -11.264 10.842 -2.033 878 HD23 LEU 113 3HD2 LEU 113 -9.918 10.274 -3.050 879 HA PRO 114 HA PRO 114 -16.961 9.083 -1.277 880 HB2 PRO 114 1HB PRO 114 -16.612 11.238 0.367 881 HB3 PRO 114 2HB PRO 114 -16.908 9.616 0.962 882 HG2 PRO 114 1HG PRO 114 -14.377 11.144 0.926 883 HG3 PRO 114 2HG PRO 114 -14.793 9.731 1.875 884 HD2 PRO 114 1HD PRO 114 -13.135 9.799 -0.464 885 HD3 PRO 114 2HD PRO 114 -13.646 8.373 0.417 886 H GLU 115 H GLU 115 -17.852 9.911 -3.050 887 HA GLU 115 HA GLU 115 -16.621 11.375 -4.854 888 HB2 GLU 115 1HB GLU 115 -19.025 12.524 -5.143 889 HB3 GLU 115 2HB GLU 115 -18.762 10.832 -5.518 890 HG2 GLU 115 1HG GLU 115 -19.821 10.081 -3.553 891 HG3 GLU 115 2HG GLU 115 -19.502 11.568 -2.683 892 H SER 116 H SER 116 -16.533 13.695 -5.448 893 HA SER 116 HA SER 116 -16.203 15.282 -3.042 894 HB2 SER 116 1HB SER 116 -14.707 14.987 -5.484 895 HB3 SER 116 2HB SER 116 -15.275 16.643 -5.411 896 HG SER 116 HG SER 116 -13.777 15.248 -3.359 897 H GLY 117 H GLY 117 -17.331 17.244 -2.732 898 HA2 GLY 117 1HA GLY 117 -18.989 18.741 -2.971 899 HA3 GLY 117 2HA GLY 117 -18.678 18.687 -4.695 900 HA PRO 118 HA PRO 118 -22.694 16.577 -3.595 901 HB2 PRO 118 1HB PRO 118 -24.520 18.604 -3.753 902 HB3 PRO 118 2HB PRO 118 -23.865 18.021 -2.236 903 HG2 PRO 118 1HG PRO 118 -23.227 20.512 -3.696 904 HG3 PRO 118 2HG PRO 118 -22.922 20.115 -2.017 905 HD2 PRO 118 1HD PRO 118 -21.006 20.135 -4.152 906 HD3 PRO 118 2HD PRO 118 -20.727 19.626 -2.498 907 H SER 119 H SER 119 -21.558 15.967 -5.730 908 HA SER 119 HA SER 119 -23.545 16.639 -7.729 909 HB2 SER 119 1HB SER 119 -21.639 18.148 -8.156 910 HB3 SER 119 2HB SER 119 -20.528 16.793 -8.154 911 HG SER 119 HG SER 119 -22.334 16.086 -9.941 912 H SER 120 H SER 120 -24.373 14.731 -8.495 913 HA SER 120 HA SER 120 -22.758 12.364 -8.103 914 HB2 SER 120 1HB SER 120 -25.705 12.807 -8.720 915 HB3 SER 120 2HB SER 120 -24.977 11.214 -8.773 916 HG SER 120 HG SER 120 -24.769 11.170 -6.603 917 H GLY 121 H GLY 121 -21.257 12.508 -9.853 918 HA2 GLY 121 1HA GLY 121 -21.892 11.333 -12.240 919 HA3 GLY 121 2HA GLY 121 -22.132 13.045 -12.529 Start of MODEL 4 1 H1 GLY 1 H GLY 1 32.666 -24.748 -18.714 2 HA2 GLY 1 1HA GLY 1 33.238 -26.994 -16.874 3 HA3 GLY 1 2HA GLY 1 32.045 -25.755 -16.534 4 H SER 2 H SER 2 31.189 -28.374 -16.540 5 HA SER 2 HA SER 2 29.475 -28.332 -18.863 6 HB2 SER 2 1HB SER 2 30.960 -30.852 -17.997 7 HB3 SER 2 2HB SER 2 29.815 -30.730 -19.318 8 HG SER 2 HG SER 2 31.610 -28.834 -19.826 9 H SER 3 H SER 3 30.368 -30.285 -15.917 10 HA SER 3 HA SER 3 27.555 -30.683 -15.431 11 HB2 SER 3 1HB SER 3 28.278 -32.296 -13.738 12 HB3 SER 3 2HB SER 3 29.136 -32.597 -15.236 13 HG SER 3 HG SER 3 30.402 -32.534 -13.116 14 H GLY 4 H GLY 4 26.536 -30.088 -13.380 15 HA2 GLY 4 1HA GLY 4 28.055 -28.175 -11.736 16 HA3 GLY 4 2HA GLY 4 26.533 -27.686 -12.454 17 H SER 5 H SER 5 26.587 -27.545 -9.758 18 HA SER 5 HA SER 5 24.953 -29.832 -9.025 19 HB2 SER 5 1HB SER 5 27.159 -28.587 -7.328 20 HB3 SER 5 2HB SER 5 25.968 -29.710 -6.702 21 HG SER 5 HG SER 5 26.828 -31.043 -8.733 22 H SER 6 H SER 6 23.294 -29.326 -7.406 23 HA SER 6 HA SER 6 22.603 -26.533 -7.524 24 HB2 SER 6 1HB SER 6 20.831 -28.074 -8.095 25 HB3 SER 6 2HB SER 6 21.102 -29.032 -6.653 26 HG SER 6 HG SER 6 19.239 -27.446 -6.645 27 H GLY 7 H GLY 7 22.152 -25.247 -5.617 28 HA2 GLY 7 1HA GLY 7 23.919 -25.404 -3.541 29 HA3 GLY 7 2HA GLY 7 22.372 -24.584 -3.476 30 H ARG 8 H ARG 8 24.077 -26.472 -1.592 31 HA ARG 8 HA ARG 8 21.735 -27.954 -0.751 32 HB2 ARG 8 1HB ARG 8 23.616 -29.342 -2.035 33 HB3 ARG 8 2HB ARG 8 24.477 -29.231 -0.513 34 HG2 ARG 8 1HG ARG 8 23.292 -31.199 -0.145 35 HG3 ARG 8 2HG ARG 8 22.152 -30.045 0.517 36 HD2 ARG 8 1HD ARG 8 21.014 -29.961 -1.763 37 HD3 ARG 8 2HD ARG 8 22.082 -31.245 -2.292 38 HE ARG 8 HE ARG 8 19.784 -31.518 -0.516 39 HH11 ARG 8 2HH2 ARG 8 22.889 -32.923 -1.391 40 HH12 ARG 8 1HH2 ARG 8 22.479 -34.506 -0.819 41 HH21 ARG 8 2HH1 ARG 8 19.242 -33.606 0.238 42 HH22 ARG 8 1HH1 ARG 8 20.390 -34.897 0.114 43 H SER 9 H SER 9 25.203 -27.198 0.086 44 HA SER 9 HA SER 9 24.249 -26.637 2.785 45 HB2 SER 9 1HB SER 9 26.448 -27.272 3.613 46 HB3 SER 9 2HB SER 9 25.838 -28.565 2.599 47 HG SER 9 HG SER 9 28.183 -27.536 2.344 48 H ALA 10 H ALA 10 23.913 -24.414 2.791 49 HA ALA 10 HA ALA 10 25.303 -22.597 1.219 50 HB1 ALA 10 1HB ALA 10 24.264 -21.717 3.876 51 HB2 ALA 10 2HB ALA 10 23.957 -21.058 2.251 52 HB3 ALA 10 3HB ALA 10 23.105 -22.524 2.793 53 H HIS 11 H HIS 11 26.803 -20.841 2.004 54 HA HIS 11 HA HIS 11 28.880 -22.101 3.579 55 HB2 HIS 11 1HB HIS 11 28.839 -20.447 1.311 56 HB3 HIS 11 2HB HIS 11 29.480 -19.435 2.591 57 HD1 HIS 11 1HD HIS 11 30.774 -21.335 0.013 58 HD2 HIS 11 2HD HIS 11 31.503 -21.375 4.143 59 HE1 HIS 11 1HE HIS 11 33.064 -22.416 0.323 60 H LEU 12 H LEU 12 27.734 -18.662 3.401 61 HA LEU 12 HA LEU 12 27.943 -18.608 6.323 62 HB2 LEU 12 1HB LEU 12 28.466 -16.669 4.148 63 HB3 LEU 12 2HB LEU 12 27.732 -16.018 5.600 64 HG LEU 12 HG LEU 12 30.145 -15.787 5.680 65 HD11 LEU 12 1HD1 LEU 12 28.547 -16.962 7.681 66 HD12 LEU 12 2HD1 LEU 12 30.111 -17.813 7.725 67 HD13 LEU 12 3HD1 LEU 12 30.057 -16.040 7.881 68 HD21 LEU 12 1HD2 LEU 12 31.348 -17.319 4.587 69 HD22 LEU 12 2HD2 LEU 12 31.241 -18.278 6.083 70 HD23 LEU 12 3HD2 LEU 12 30.090 -18.567 4.756 71 H ARG 13 H ARG 13 25.940 -17.106 3.681 72 HA ARG 13 HA ARG 13 23.607 -17.946 5.112 73 HB2 ARG 13 1HB ARG 13 24.617 -15.198 5.240 74 HB3 ARG 13 2HB ARG 13 23.039 -15.225 4.479 75 HG2 ARG 13 1HG ARG 13 22.242 -15.229 6.624 76 HG3 ARG 13 2HG ARG 13 22.593 -16.945 6.576 77 HD2 ARG 13 1HD ARG 13 24.202 -16.720 8.165 78 HD3 ARG 13 2HD ARG 13 25.037 -15.507 7.216 79 HE ARG 13 HE ARG 13 23.164 -15.019 9.418 80 HH11 ARG 13 2HH2 ARG 13 24.682 -13.637 6.560 81 HH12 ARG 13 1HH2 ARG 13 24.459 -11.999 7.077 82 HH21 ARG 13 2HH1 ARG 13 22.869 -12.858 10.100 83 HH22 ARG 13 1HH1 ARG 13 23.421 -11.553 9.104 84 H VAL 14 H VAL 14 21.614 -17.700 3.757 85 HA VAL 14 HA VAL 14 22.333 -17.515 0.918 86 HB VAL 14 HB VAL 14 21.454 -19.676 2.002 87 HG11 VAL 14 1HG1 VAL 14 19.029 -19.882 2.184 88 HG12 VAL 14 2HG1 VAL 14 19.626 -18.617 3.285 89 HG13 VAL 14 3HG1 VAL 14 18.830 -18.165 1.759 90 HG21 VAL 14 1HG2 VAL 14 21.597 -19.053 -0.482 91 HG22 VAL 14 2HG2 VAL 14 20.466 -20.351 -0.030 92 HG23 VAL 14 3HG2 VAL 14 19.852 -18.717 -0.377 93 H ARG 15 H ARG 15 21.598 -15.786 -0.201 94 HA ARG 15 HA ARG 15 20.006 -13.898 1.119 95 HB2 ARG 15 1HB ARG 15 21.292 -14.189 -1.578 96 HB3 ARG 15 2HB ARG 15 19.936 -13.081 -1.501 97 HG2 ARG 15 1HG ARG 15 21.021 -11.857 0.379 98 HG3 ARG 15 2HG ARG 15 22.363 -12.984 0.354 99 HD2 ARG 15 1HD ARG 15 22.045 -12.039 -2.336 100 HD3 ARG 15 2HD ARG 15 21.941 -10.631 -1.298 101 HE ARG 15 HE ARG 15 24.187 -10.953 -0.630 102 HH11 ARG 15 2HH2 ARG 15 23.060 -13.701 -2.516 103 HH12 ARG 15 1HH2 ARG 15 24.642 -14.379 -2.711 104 HH21 ARG 15 2HH1 ARG 15 26.274 -11.846 -0.887 105 HH22 ARG 15 1HH1 ARG 15 26.482 -13.317 -1.778 106 H GLN 16 H GLN 16 17.924 -14.717 1.620 107 HA GLN 16 HA GLN 16 16.438 -15.920 -0.540 108 HB2 GLN 16 1HB GLN 16 16.527 -16.293 2.267 109 HB3 GLN 16 2HB GLN 16 14.956 -15.582 1.957 110 HG2 GLN 16 1HG GLN 16 14.826 -18.044 1.804 111 HG3 GLN 16 2HG GLN 16 14.476 -17.319 0.247 112 HE21 GLN 16 1HE2 GLN 16 16.529 -19.359 2.064 113 HE22 GLN 16 2HE2 GLN 16 17.645 -19.816 0.820 114 H LEU 17 H LEU 17 14.200 -15.168 -1.045 115 HA LEU 17 HA LEU 17 14.172 -12.313 -1.242 116 HB2 LEU 17 1HB LEU 17 12.251 -14.461 -2.141 117 HB3 LEU 17 2HB LEU 17 12.023 -12.752 -2.450 118 HG LEU 17 HG LEU 17 14.415 -14.352 -3.398 119 HD11 LEU 17 1HD1 LEU 17 11.796 -14.517 -4.345 120 HD12 LEU 17 2HD1 LEU 17 12.622 -13.424 -5.481 121 HD13 LEU 17 3HD1 LEU 17 13.278 -15.050 -5.175 122 HD21 LEU 17 1HD2 LEU 17 13.925 -11.994 -4.930 123 HD22 LEU 17 2HD2 LEU 17 13.968 -11.550 -3.207 124 HD23 LEU 17 3HD2 LEU 17 15.342 -12.413 -3.938 125 HA PRO 18 HA PRO 18 11.755 -11.558 2.257 126 HB2 PRO 18 1HB PRO 18 10.778 -9.075 1.666 127 HB3 PRO 18 2HB PRO 18 12.390 -9.345 2.299 128 HG2 PRO 18 1HG PRO 18 11.572 -8.666 -0.459 129 HG3 PRO 18 2HG PRO 18 13.153 -8.523 0.284 130 HD2 PRO 18 1HD PRO 18 12.296 -10.554 -1.552 131 HD3 PRO 18 2HD PRO 18 13.836 -10.475 -0.721 132 H HIS 19 H HIS 19 9.682 -11.614 3.187 133 HA HIS 19 HA HIS 19 7.806 -12.698 1.306 134 HB2 HIS 19 1HB HIS 19 8.201 -12.675 4.214 135 HB3 HIS 19 2HB HIS 19 6.520 -12.499 3.751 136 HD1 HIS 19 1HD HIS 19 5.340 -14.684 3.588 137 HD2 HIS 19 2HD HIS 19 9.398 -15.020 2.579 138 HE1 HIS 19 1HE HIS 19 5.744 -17.147 3.058 139 H ALA 20 H ALA 20 5.542 -11.901 1.144 140 HA ALA 20 HA ALA 20 5.505 -9.158 0.570 141 HB1 ALA 20 1HB ALA 20 2.870 -9.878 0.691 142 HB2 ALA 20 2HB ALA 20 3.934 -10.212 -0.696 143 HB3 ALA 20 3HB ALA 20 3.645 -11.471 0.528 144 HA PRO 21 HA PRO 21 4.231 -7.404 4.312 145 HB2 PRO 21 1HB PRO 21 2.514 -5.415 3.561 146 HB3 PRO 21 2HB PRO 21 4.257 -5.268 3.452 147 HG2 PRO 21 1HG PRO 21 2.295 -5.711 1.285 148 HG3 PRO 21 2HG PRO 21 3.950 -5.146 1.169 149 HD2 PRO 21 1HD PRO 21 2.988 -7.777 0.554 150 HD3 PRO 21 2HD PRO 21 4.657 -7.244 0.549 151 H GLU 22 H GLU 22 3.057 -8.007 6.027 152 HA GLU 22 HA GLU 22 0.601 -9.328 5.329 153 HB2 GLU 22 1HB GLU 22 2.545 -9.425 7.542 154 HB3 GLU 22 2HB GLU 22 0.888 -9.456 8.112 155 HG2 GLU 22 1HG GLU 22 1.631 -11.231 5.784 156 HG3 GLU 22 2HG GLU 22 2.153 -11.706 7.388 157 H HIS 23 H HIS 23 -1.148 -8.994 7.343 158 HA HIS 23 HA HIS 23 -2.850 -7.595 7.727 159 HB2 HIS 23 1HB HIS 23 -0.662 -7.237 9.468 160 HB3 HIS 23 2HB HIS 23 -1.291 -5.628 9.175 161 HD1 HIS 23 1HD HIS 23 -3.941 -5.295 9.709 162 HD2 HIS 23 2HD HIS 23 -2.140 -8.763 11.233 163 HE1 HIS 23 1HE HIS 23 -5.508 -6.178 11.518 164 HA PRO 24 HA PRO 24 -1.649 -4.452 4.599 165 HB2 PRO 24 1HB PRO 24 -2.926 -5.463 2.405 166 HB3 PRO 24 2HB PRO 24 -1.223 -5.721 2.726 167 HG2 PRO 24 1HG PRO 24 -3.473 -7.613 3.032 168 HG3 PRO 24 2HG PRO 24 -1.757 -7.955 2.933 169 HD2 PRO 24 1HD PRO 24 -3.376 -7.965 5.301 170 HD3 PRO 24 2HD PRO 24 -1.640 -8.192 5.217 171 H VAL 25 H VAL 25 -2.953 -3.274 6.171 172 HA VAL 25 HA VAL 25 -5.764 -3.234 5.389 173 HB VAL 25 HB VAL 25 -4.595 -1.676 7.661 174 HG11 VAL 25 1HG1 VAL 25 -7.174 -2.142 6.689 175 HG12 VAL 25 2HG1 VAL 25 -7.045 -3.178 8.131 176 HG13 VAL 25 3HG1 VAL 25 -6.736 -1.430 8.261 177 HG21 VAL 25 1HG2 VAL 25 -4.677 -4.645 7.424 178 HG22 VAL 25 2HG2 VAL 25 -3.596 -3.596 8.372 179 HG23 VAL 25 3HG2 VAL 25 -5.241 -3.940 8.958 180 H ALA 26 H ALA 26 -6.733 -1.472 4.418 181 HA ALA 26 HA ALA 26 -5.053 0.902 4.058 182 HB1 ALA 26 1HB ALA 26 -5.548 0.974 1.708 183 HB2 ALA 26 2HB ALA 26 -4.948 -0.665 2.061 184 HB3 ALA 26 3HB ALA 26 -6.692 -0.383 1.844 185 H THR 27 H THR 27 -6.162 2.398 5.239 186 HA THR 27 HA THR 27 -9.073 2.514 4.786 187 HB THR 27 HB THR 27 -8.746 3.709 7.210 188 HG1 THR 27 1HG THR 27 -6.755 1.571 6.967 189 HG21 THR 27 1HG2 THR 27 -10.122 1.605 6.710 190 HG22 THR 27 2HG2 THR 27 -8.624 0.665 6.917 191 HG23 THR 27 3HG2 THR 27 -9.295 1.585 8.286 192 H LEU 28 H LEU 28 -10.051 4.588 4.631 193 HA LEU 28 HA LEU 28 -8.368 6.445 3.285 194 HB2 LEU 28 1HB LEU 28 -11.207 5.972 3.701 195 HB3 LEU 28 2HB LEU 28 -10.809 7.676 3.803 196 HG LEU 28 HG LEU 28 -10.126 5.855 1.478 197 HD11 LEU 28 1HD1 LEU 28 -12.204 8.054 1.591 198 HD12 LEU 28 2HD1 LEU 28 -11.882 6.924 0.254 199 HD13 LEU 28 3HD1 LEU 28 -12.565 6.322 1.784 200 HD21 LEU 28 1HD2 LEU 28 -9.809 8.857 1.748 201 HD22 LEU 28 2HD2 LEU 28 -8.491 7.660 1.780 202 HD23 LEU 28 3HD2 LEU 28 -9.458 7.880 0.302 203 H SER 29 H SER 29 -8.377 8.842 3.910 204 HA SER 29 HA SER 29 -7.596 8.934 6.678 205 HB2 SER 29 1HB SER 29 -6.385 9.951 4.511 206 HB3 SER 29 2HB SER 29 -7.430 11.319 4.841 207 HG SER 29 HG SER 29 -6.427 10.695 7.216 208 H THR 30 H THR 30 -8.920 9.748 8.266 209 HA THR 30 HA THR 30 -11.392 11.036 7.427 210 HB THR 30 HB THR 30 -12.043 10.570 9.776 211 HG1 THR 30 1HG THR 30 -10.105 10.880 10.912 212 HG21 THR 30 1HG2 THR 30 -12.403 8.492 8.787 213 HG22 THR 30 2HG2 THR 30 -10.753 8.414 8.125 214 HG23 THR 30 3HG2 THR 30 -11.042 8.033 9.839 215 H VAL 31 H VAL 31 -8.759 12.416 7.116 216 HA VAL 31 HA VAL 31 -9.575 14.822 8.519 217 HB VAL 31 HB VAL 31 -7.345 15.243 9.377 218 HG11 VAL 31 1HG1 VAL 31 -8.372 12.529 10.275 219 HG12 VAL 31 2HG1 VAL 31 -7.329 13.629 11.209 220 HG13 VAL 31 3HG1 VAL 31 -8.999 14.104 10.816 221 HG21 VAL 31 1HG2 VAL 31 -5.905 14.113 7.869 222 HG22 VAL 31 2HG2 VAL 31 -5.700 13.298 9.438 223 HG23 VAL 31 3HG2 VAL 31 -6.693 12.545 8.168 224 H GLU 32 H GLU 32 -7.243 13.198 6.276 225 HA GLU 32 HA GLU 32 -7.111 15.686 4.797 226 HB2 GLU 32 1HB GLU 32 -5.237 13.603 5.383 227 HB3 GLU 32 2HB GLU 32 -5.494 13.573 3.650 228 HG2 GLU 32 1HG GLU 32 -4.600 15.694 3.329 229 HG3 GLU 32 2HG GLU 32 -5.154 16.286 4.883 230 H ARG 33 H ARG 33 -8.354 15.990 2.998 231 HA ARG 33 HA ARG 33 -10.091 13.986 2.171 232 HB2 ARG 33 1HB ARG 33 -9.254 16.610 0.840 233 HB3 ARG 33 2HB ARG 33 -10.575 15.617 0.258 234 HG2 ARG 33 1HG ARG 33 -10.653 16.269 3.176 235 HG3 ARG 33 2HG ARG 33 -10.872 17.632 2.097 236 HD2 ARG 33 1HD ARG 33 -12.567 15.947 0.861 237 HD3 ARG 33 2HD ARG 33 -12.607 15.183 2.438 238 HE ARG 33 HE ARG 33 -13.812 17.010 3.269 239 HH11 ARG 33 2HH2 ARG 33 -12.285 17.923 0.232 240 HH12 ARG 33 1HH2 ARG 33 -13.091 19.453 0.139 241 HH21 ARG 33 2HH1 ARG 33 -14.875 19.030 3.147 242 HH22 ARG 33 1HH1 ARG 33 -14.574 20.087 1.809 243 H ARG 34 H ARG 34 -10.156 12.787 0.141 244 HA ARG 34 HA ARG 34 -9.232 11.440 -1.291 245 HB2 ARG 34 1HB ARG 34 -7.466 13.701 -2.286 246 HB3 ARG 34 2HB ARG 34 -8.314 12.490 -3.226 247 HG2 ARG 34 1HG ARG 34 -10.504 13.572 -2.282 248 HG3 ARG 34 2HG ARG 34 -9.482 14.916 -1.811 249 HD2 ARG 34 1HD ARG 34 -9.338 13.865 -4.653 250 HD3 ARG 34 2HD ARG 34 -10.662 14.917 -4.191 251 HE ARG 34 HE ARG 34 -7.866 15.687 -4.528 252 HH11 ARG 34 2HH2 ARG 34 -10.871 16.504 -2.890 253 HH12 ARG 34 1HH2 ARG 34 -10.450 18.170 -2.675 254 HH21 ARG 34 2HH1 ARG 34 -7.309 17.885 -4.244 255 HH22 ARG 34 1HH1 ARG 34 -8.410 18.961 -3.450 256 H ALA 35 H ALA 35 -8.022 10.779 0.954 257 HA ALA 35 HA ALA 35 -5.301 10.249 0.157 258 HB1 ALA 35 1HB ALA 35 -5.061 12.413 1.285 259 HB2 ALA 35 2HB ALA 35 -5.959 11.800 2.694 260 HB3 ALA 35 3HB ALA 35 -4.365 11.120 2.290 261 H ILE 36 H ILE 36 -4.828 8.167 0.693 262 HA ILE 36 HA ILE 36 -6.591 6.925 2.688 263 HB ILE 36 HB ILE 36 -5.274 5.828 0.210 264 HG12 ILE 36 1HG1 ILE 36 -8.188 5.841 1.038 265 HG13 ILE 36 2HG1 ILE 36 -7.459 7.083 0.040 266 HG21 ILE 36 1HG2 ILE 36 -4.909 4.070 1.680 267 HG22 ILE 36 2HG2 ILE 36 -6.403 4.385 2.595 268 HG23 ILE 36 3HG2 ILE 36 -6.491 3.670 0.968 269 HD11 ILE 36 1HD1 ILE 36 -8.348 5.568 -1.544 270 HD12 ILE 36 2HD1 ILE 36 -6.632 5.105 -1.466 271 HD13 ILE 36 3HD1 ILE 36 -7.853 4.145 -0.597 272 H ASN 37 H ASN 37 -5.688 5.732 4.375 273 HA ASN 37 HA ASN 37 -2.855 6.223 4.700 274 HB2 ASN 37 1HB ASN 37 -5.161 6.156 6.466 275 HB3 ASN 37 2HB ASN 37 -4.022 4.941 7.012 276 HD21 ASN 37 1HD2 ASN 37 -4.876 8.152 7.106 277 HD22 ASN 37 2HD2 ASN 37 -3.421 8.854 7.730 278 H LEU 38 H LEU 38 -1.683 4.510 3.768 279 HA LEU 38 HA LEU 38 -2.772 1.831 3.921 280 HB2 LEU 38 1HB LEU 38 -1.366 3.195 2.016 281 HB3 LEU 38 2HB LEU 38 -0.096 2.254 2.775 282 HG LEU 38 HG LEU 38 -1.282 1.261 0.735 283 HD11 LEU 38 1HD1 LEU 38 0.240 0.024 2.253 284 HD12 LEU 38 2HD1 LEU 38 -1.169 -0.446 3.234 285 HD13 LEU 38 3HD1 LEU 38 -1.037 -0.995 1.546 286 HD21 LEU 38 1HD2 LEU 38 -3.584 1.856 1.729 287 HD22 LEU 38 2HD2 LEU 38 -3.388 0.282 0.921 288 HD23 LEU 38 3HD2 LEU 38 -3.386 0.376 2.699 289 H THR 39 H THR 39 -2.073 0.223 5.277 290 HA THR 39 HA THR 39 0.404 0.631 6.747 291 HB THR 39 HB THR 39 -0.735 0.401 8.924 292 HG1 THR 39 1HG THR 39 -3.090 0.193 8.831 293 HG21 THR 39 1HG2 THR 39 -2.225 2.428 7.172 294 HG22 THR 39 2HG2 THR 39 -2.192 2.427 8.952 295 HG23 THR 39 3HG2 THR 39 -0.700 2.745 8.034 296 H TRP 40 H TRP 40 1.541 -1.203 6.838 297 HA TRP 40 HA TRP 40 0.026 -3.710 6.697 298 HB2 TRP 40 1HB TRP 40 1.702 -4.618 5.150 299 HB3 TRP 40 2HB TRP 40 0.749 -3.323 4.454 300 HD1 TRP 40 HD TRP 40 4.335 -4.272 5.158 301 HE1 TRP 40 1HE TRP 40 6.040 -2.420 4.367 302 HE3 TRP 40 3HE TRP 40 0.842 -0.678 4.301 303 HZ2 TRP 40 2HZ TRP 40 5.743 0.280 3.490 304 HZ3 TRP 40 3HZ TRP 40 1.634 1.538 3.478 305 HH2 TRP 40 HH TRP 40 3.990 2.044 3.073 306 H THR 41 H THR 41 1.894 -5.563 7.101 307 HA THR 41 HA THR 41 3.253 -4.655 9.544 308 HB THR 41 HB THR 41 1.965 -7.234 8.600 309 HG1 THR 41 1HG THR 41 1.024 -5.454 10.011 310 HG21 THR 41 1HG2 THR 41 3.848 -7.003 10.999 311 HG22 THR 41 2HG2 THR 41 3.000 -8.461 10.430 312 HG23 THR 41 3HG2 THR 41 4.328 -7.771 9.467 313 H LYS 42 H LYS 42 5.391 -5.511 10.037 314 HA LYS 42 HA LYS 42 7.026 -5.392 7.684 315 HB2 LYS 42 1HB LYS 42 7.366 -4.471 10.181 316 HB3 LYS 42 2HB LYS 42 8.168 -6.018 10.368 317 HG2 LYS 42 1HG LYS 42 8.811 -4.342 7.934 318 HG3 LYS 42 2HG LYS 42 9.501 -3.878 9.477 319 HD2 LYS 42 1HD LYS 42 10.134 -6.477 9.613 320 HD3 LYS 42 2HD LYS 42 9.965 -6.395 7.871 321 HE2 LYS 42 1HE LYS 42 12.289 -5.940 8.376 322 HE3 LYS 42 2HE LYS 42 11.572 -4.425 7.865 323 HZ1 LYS 42 1HZ LYS 42 11.132 -4.342 10.470 324 HZ2 LYS 42 2HZ LYS 42 12.525 -5.194 10.457 325 HZ3 LYS 42 3HZ LYS 42 12.465 -3.716 9.764 326 HA PRO 43 HA PRO 43 6.908 -9.754 7.291 327 HB2 PRO 43 1HB PRO 43 8.030 -9.881 4.803 328 HB3 PRO 43 2HB PRO 43 6.313 -9.655 5.069 329 HG2 PRO 43 1HG PRO 43 8.334 -7.670 4.225 330 HG3 PRO 43 2HG PRO 43 6.589 -7.586 4.089 331 HD2 PRO 43 1HD PRO 43 8.228 -6.228 6.012 332 HD3 PRO 43 2HD PRO 43 6.477 -6.236 5.947 333 H PHE 44 H PHE 44 8.548 -11.543 6.583 334 HA PHE 44 HA PHE 44 10.896 -10.892 8.148 335 HB2 PHE 44 1HB PHE 44 9.622 -13.011 8.508 336 HB3 PHE 44 2HB PHE 44 9.744 -13.408 6.805 337 HD1 PHE 44 2HD PHE 44 12.219 -13.608 5.893 338 HD2 PHE 44 1HD PHE 44 11.125 -13.972 9.977 339 HE1 PHE 44 2HE PHE 44 14.328 -14.891 6.344 340 HE2 PHE 44 1HE PHE 44 13.234 -15.255 10.428 341 HZ PHE 44 HZ PHE 44 14.811 -15.699 8.606 342 H ASP 45 H ASP 45 12.857 -10.385 7.287 343 HA ASP 45 HA ASP 45 13.076 -10.297 4.465 344 HB2 ASP 45 1HB ASP 45 15.063 -9.081 4.842 345 HB3 ASP 45 2HB ASP 45 14.094 -8.690 6.249 346 H GLY 46 H GLY 46 14.033 -11.884 3.157 347 HA2 GLY 46 1HA GLY 46 14.512 -14.434 3.870 348 HA3 GLY 46 2HA GLY 46 15.341 -13.630 2.552 349 H ASN 47 H ASN 47 17.208 -12.027 3.418 350 HA ASN 47 HA ASN 47 18.442 -12.781 5.811 351 HB2 ASN 47 1HB ASN 47 18.955 -14.541 3.625 352 HB3 ASN 47 2HB ASN 47 20.384 -13.534 3.740 353 HD21 ASN 47 1HD2 ASN 47 20.266 -16.298 4.268 354 HD22 ASN 47 2HD2 ASN 47 20.662 -16.581 5.930 355 H SER 48 H SER 48 17.603 -10.404 4.257 356 HA SER 48 HA SER 48 20.099 -9.017 4.343 357 HB2 SER 48 1HB SER 48 19.233 -9.982 1.847 358 HB3 SER 48 2HB SER 48 18.719 -8.307 1.846 359 HG SER 48 HG SER 48 21.389 -9.346 2.209 360 HA PRO 49 HA PRO 49 17.343 -5.876 5.556 361 HB2 PRO 49 1HB PRO 49 18.794 -3.606 5.099 362 HB3 PRO 49 2HB PRO 49 19.033 -4.630 6.501 363 HG2 PRO 49 1HG PRO 49 20.713 -4.377 4.081 364 HG3 PRO 49 2HG PRO 49 21.133 -5.049 5.644 365 HD2 PRO 49 1HD PRO 49 20.523 -6.514 3.255 366 HD3 PRO 49 2HD PRO 49 20.829 -7.183 4.845 367 H LEU 50 H LEU 50 15.475 -5.091 4.809 368 HA LEU 50 HA LEU 50 14.863 -5.139 2.181 369 HB2 LEU 50 1HB LEU 50 13.807 -3.313 4.341 370 HB3 LEU 50 2HB LEU 50 13.065 -3.496 2.763 371 HG LEU 50 HG LEU 50 13.476 -5.781 4.709 372 HD11 LEU 50 1HD1 LEU 50 10.736 -4.797 4.252 373 HD12 LEU 50 2HD1 LEU 50 11.534 -5.344 5.746 374 HD13 LEU 50 3HD1 LEU 50 11.792 -3.685 5.156 375 HD21 LEU 50 1HD2 LEU 50 12.676 -7.153 3.149 376 HD22 LEU 50 2HD2 LEU 50 11.351 -6.040 2.732 377 HD23 LEU 50 3HD2 LEU 50 12.953 -5.835 1.985 378 H ILE 51 H ILE 51 14.546 -3.446 0.535 379 HA ILE 51 HA ILE 51 16.586 -1.349 0.814 380 HB ILE 51 HB ILE 51 15.857 -3.147 -1.465 381 HG12 ILE 51 1HG1 ILE 51 18.468 -2.233 -0.225 382 HG13 ILE 51 2HG1 ILE 51 17.720 -3.809 -0.059 383 HG21 ILE 51 1HG2 ILE 51 16.813 -0.307 -1.648 384 HG22 ILE 51 2HG2 ILE 51 17.364 -1.515 -2.834 385 HG23 ILE 51 3HG2 ILE 51 15.626 -1.178 -2.648 386 HD11 ILE 51 1HD1 ILE 51 17.814 -3.874 -2.692 387 HD12 ILE 51 2HD1 ILE 51 19.024 -2.583 -2.501 388 HD13 ILE 51 3HD1 ILE 51 19.302 -4.179 -1.764 389 H ARG 52 H ARG 52 13.508 -2.230 -0.906 390 HA ARG 52 HA ARG 52 12.429 0.276 -0.118 391 HB2 ARG 52 1HB ARG 52 12.122 1.261 -2.278 392 HB3 ARG 52 2HB ARG 52 13.789 0.720 -2.279 393 HG2 ARG 52 1HG ARG 52 13.018 -1.433 -3.403 394 HG3 ARG 52 2HG ARG 52 11.412 -0.741 -3.523 395 HD2 ARG 52 1HD ARG 52 12.442 -0.271 -5.633 396 HD3 ARG 52 2HD ARG 52 12.494 1.249 -4.762 397 HE ARG 52 HE ARG 52 14.897 0.012 -4.087 398 HH11 ARG 52 2HH2 ARG 52 13.326 0.895 -7.110 399 HH12 ARG 52 1HH2 ARG 52 14.815 1.124 -7.965 400 HH21 ARG 52 2HH1 ARG 52 16.861 0.314 -5.214 401 HH22 ARG 52 1HH1 ARG 52 16.839 0.791 -6.879 402 H TYR 53 H TYR 53 10.111 0.467 -1.450 403 HA TYR 53 HA TYR 53 9.021 -2.251 -1.659 404 HB2 TYR 53 1HB TYR 53 8.413 0.089 0.141 405 HB3 TYR 53 2HB TYR 53 6.994 -0.639 -0.585 406 HD1 TYR 53 1HD TYR 53 9.943 -1.340 1.568 407 HD2 TYR 53 2HD TYR 53 6.126 -2.713 0.207 408 HE1 TYR 53 1HE TYR 53 9.952 -3.153 3.351 409 HE2 TYR 53 2HE TYR 53 6.148 -4.521 1.995 410 HH TYR 53 HH TYR 53 7.770 -4.487 4.570 411 H ILE 54 H ILE 54 7.611 -2.559 -3.353 412 HA ILE 54 HA ILE 54 7.076 -0.175 -4.969 413 HB ILE 54 HB ILE 54 7.022 -3.080 -5.787 414 HG12 ILE 54 1HG1 ILE 54 9.227 -1.042 -6.215 415 HG13 ILE 54 2HG1 ILE 54 9.279 -2.343 -5.042 416 HG21 ILE 54 1HG2 ILE 54 7.112 -0.590 -7.506 417 HG22 ILE 54 2HG2 ILE 54 6.928 -2.278 -8.039 418 HG23 ILE 54 3HG2 ILE 54 5.626 -1.489 -7.117 419 HD11 ILE 54 1HD1 ILE 54 8.837 -3.958 -7.008 420 HD12 ILE 54 2HD1 ILE 54 9.178 -2.573 -8.074 421 HD13 ILE 54 3HD1 ILE 54 10.435 -3.175 -6.967 422 H LEU 55 H LEU 55 5.180 0.691 -4.207 423 HA LEU 55 HA LEU 55 3.027 -1.104 -3.497 424 HB2 LEU 55 1HB LEU 55 3.228 0.634 -1.994 425 HB3 LEU 55 2HB LEU 55 3.579 1.823 -3.233 426 HG LEU 55 HG LEU 55 1.070 1.250 -3.966 427 HD11 LEU 55 1HD1 LEU 55 -0.383 0.813 -2.105 428 HD12 LEU 55 2HD1 LEU 55 0.836 -0.481 -2.190 429 HD13 LEU 55 3HD1 LEU 55 0.989 0.808 -0.971 430 HD21 LEU 55 1HD2 LEU 55 2.258 3.231 -2.106 431 HD22 LEU 55 2HD2 LEU 55 1.352 3.464 -3.621 432 HD23 LEU 55 3HD2 LEU 55 0.482 3.108 -2.109 433 H GLU 56 H GLU 56 1.444 -1.751 -4.857 434 HA GLU 56 HA GLU 56 1.251 -0.260 -7.357 435 HB2 GLU 56 1HB GLU 56 1.004 -3.202 -6.712 436 HB3 GLU 56 2HB GLU 56 0.147 -2.560 -8.099 437 HG2 GLU 56 1HG GLU 56 2.887 -1.542 -8.052 438 HG3 GLU 56 2HG GLU 56 2.893 -3.292 -7.960 439 H MET 57 H MET 57 -0.614 0.878 -7.654 440 HA MET 57 HA MET 57 -2.837 0.167 -5.922 441 HB2 MET 57 1HB MET 57 -2.155 2.489 -5.694 442 HB3 MET 57 2HB MET 57 -2.011 2.695 -7.429 443 HG2 MET 57 1HG MET 57 -4.524 2.313 -7.618 444 HG3 MET 57 2HG MET 57 -4.608 2.290 -5.868 445 HE1 MET 57 1HE MET 57 -3.351 5.678 -8.606 446 HE2 MET 57 2HE MET 57 -3.552 3.943 -8.949 447 HE3 MET 57 3HE MET 57 -4.980 5.000 -8.840 448 H SER 58 H SER 58 -4.910 -0.300 -6.744 449 HA SER 58 HA SER 58 -5.040 -0.404 -9.656 450 HB2 SER 58 1HB SER 58 -5.110 -2.662 -9.381 451 HB3 SER 58 2HB SER 58 -5.410 -2.536 -7.659 452 HG SER 58 HG SER 58 -7.315 -2.471 -9.820 453 H GLU 59 H GLU 59 -6.577 1.026 -10.364 454 HA GLU 59 HA GLU 59 -8.490 2.027 -8.528 455 HB2 GLU 59 1HB GLU 59 -7.266 3.161 -10.610 456 HB3 GLU 59 2HB GLU 59 -8.643 2.539 -11.499 457 HG2 GLU 59 1HG GLU 59 -10.068 3.634 -9.551 458 HG3 GLU 59 2HG GLU 59 -8.612 4.557 -9.236 459 H ASN 60 H ASN 60 -10.537 2.306 -10.840 460 HA ASN 60 HA ASN 60 -12.061 0.081 -10.065 461 HB2 ASN 60 1HB ASN 60 -12.409 2.274 -12.159 462 HB3 ASN 60 2HB ASN 60 -13.591 0.990 -11.999 463 HD21 ASN 60 1HD2 ASN 60 -12.623 4.006 -10.958 464 HD22 ASN 60 2HD2 ASN 60 -13.587 4.174 -9.529 465 H ASN 61 H ASN 61 -11.189 -1.918 -10.794 466 HA ASN 61 HA ASN 61 -10.682 -3.531 -12.150 467 HB2 ASN 61 1HB ASN 61 -12.658 -1.988 -13.624 468 HB3 ASN 61 2HB ASN 61 -11.486 -2.614 -14.766 469 HD21 ASN 61 1HD2 ASN 61 -14.184 -3.378 -14.616 470 HD22 ASN 61 2HD2 ASN 61 -14.287 -5.057 -14.203 471 H ALA 62 H ALA 62 -9.109 -0.782 -12.003 472 HA ALA 62 HA ALA 62 -7.737 -0.636 -14.502 473 HB1 ALA 62 1HB ALA 62 -7.557 1.415 -13.559 474 HB2 ALA 62 2HB ALA 62 -7.825 0.783 -11.917 475 HB3 ALA 62 3HB ALA 62 -6.201 0.714 -12.643 476 HA PRO 63 HA PRO 63 -4.700 -3.607 -13.686 477 HB2 PRO 63 1HB PRO 63 -2.708 -2.798 -15.372 478 HB3 PRO 63 2HB PRO 63 -4.104 -3.712 -15.907 479 HG2 PRO 63 1HG PRO 63 -3.518 -0.838 -16.276 480 HG3 PRO 63 2HG PRO 63 -4.661 -1.846 -17.143 481 HD2 PRO 63 1HD PRO 63 -5.270 0.067 -15.094 482 HD3 PRO 63 2HD PRO 63 -6.396 -1.022 -15.879 483 H TRP 64 H TRP 64 -2.991 -4.155 -12.365 484 HA TRP 64 HA TRP 64 -2.367 -2.462 -10.362 485 HB2 TRP 64 1HB TRP 64 -0.601 -4.582 -11.599 486 HB3 TRP 64 2HB TRP 64 -0.321 -3.831 -10.040 487 HD1 TRP 64 HD TRP 64 -1.834 -6.865 -11.375 488 HE1 TRP 64 1HE TRP 64 -3.513 -8.063 -9.729 489 HE3 TRP 64 3HE TRP 64 -2.375 -2.918 -8.215 490 HZ2 TRP 64 2HZ TRP 64 -4.849 -7.244 -7.344 491 HZ3 TRP 64 3HZ TRP 64 -3.885 -3.201 -6.252 492 HH2 TRP 64 HH TRP 64 -5.100 -5.272 -5.793 493 H THR 65 H THR 65 -1.528 -0.422 -10.395 494 HA THR 65 HA THR 65 0.527 0.140 -12.433 495 HB THR 65 HB THR 65 -1.931 1.235 -12.449 496 HG1 THR 65 1HG THR 65 0.604 2.713 -12.571 497 HG21 THR 65 1HG2 THR 65 -1.612 2.140 -10.058 498 HG22 THR 65 2HG2 THR 65 -0.312 3.164 -10.714 499 HG23 THR 65 3HG2 THR 65 -1.984 3.372 -11.288 500 H VAL 66 H VAL 66 2.485 0.138 -11.525 501 HA VAL 66 HA VAL 66 2.956 0.341 -8.812 502 HB VAL 66 HB VAL 66 4.685 0.898 -11.224 503 HG11 VAL 66 1HG1 VAL 66 6.631 0.698 -9.734 504 HG12 VAL 66 2HG1 VAL 66 5.614 2.090 -9.292 505 HG13 VAL 66 3HG1 VAL 66 5.546 0.596 -8.326 506 HG21 VAL 66 1HG2 VAL 66 5.612 -1.337 -10.720 507 HG22 VAL 66 2HG2 VAL 66 4.448 -1.508 -9.385 508 HG23 VAL 66 3HG2 VAL 66 3.867 -1.396 -11.064 509 H LEU 67 H LEU 67 2.099 2.018 -7.635 510 HA LEU 67 HA LEU 67 2.133 4.679 -8.693 511 HB2 LEU 67 1HB LEU 67 0.364 3.587 -7.212 512 HB3 LEU 67 2HB LEU 67 1.475 3.828 -5.879 513 HG LEU 67 HG LEU 67 1.482 6.307 -6.509 514 HD11 LEU 67 1HD1 LEU 67 0.209 7.131 -8.150 515 HD12 LEU 67 2HD1 LEU 67 0.124 5.455 -8.743 516 HD13 LEU 67 3HD1 LEU 67 -1.180 6.104 -7.719 517 HD21 LEU 67 1HD2 LEU 67 0.295 5.286 -4.560 518 HD22 LEU 67 2HD2 LEU 67 -0.461 6.769 -5.190 519 HD23 LEU 67 3HD2 LEU 67 -1.167 5.179 -5.570 520 H LEU 68 H LEU 68 3.605 3.122 -5.751 521 HA LEU 68 HA LEU 68 5.710 5.160 -5.943 522 HB2 LEU 68 1HB LEU 68 4.069 4.274 -3.785 523 HB3 LEU 68 2HB LEU 68 5.724 3.815 -3.433 524 HG LEU 68 HG LEU 68 4.788 6.617 -4.116 525 HD11 LEU 68 1HD1 LEU 68 3.949 6.301 -1.992 526 HD12 LEU 68 2HD1 LEU 68 5.262 5.197 -1.515 527 HD13 LEU 68 3HD1 LEU 68 5.571 6.946 -1.645 528 HD21 LEU 68 1HD2 LEU 68 7.488 5.909 -2.993 529 HD22 LEU 68 2HD2 LEU 68 7.186 5.878 -4.747 530 HD23 LEU 68 3HD2 LEU 68 6.961 7.388 -3.831 531 H ALA 69 H ALA 69 7.549 4.434 -6.855 532 HA ALA 69 HA ALA 69 8.047 1.576 -6.856 533 HB1 ALA 69 1HB ALA 69 8.621 3.847 -8.554 534 HB2 ALA 69 2HB ALA 69 10.136 3.011 -8.134 535 HB3 ALA 69 3HB ALA 69 8.806 2.111 -8.901 536 H SER 70 H SER 70 9.466 4.667 -5.652 537 HA SER 70 HA SER 70 11.415 3.067 -4.210 538 HB2 SER 70 1HB SER 70 12.724 4.709 -5.118 539 HB3 SER 70 2HB SER 70 11.374 5.800 -5.354 540 HG SER 70 HG SER 70 12.779 5.304 -2.870 541 H VAL 71 H VAL 71 10.506 2.390 -2.276 542 HA VAL 71 HA VAL 71 9.246 4.494 -0.656 543 HB VAL 71 HB VAL 71 8.450 1.631 -1.132 544 HG11 VAL 71 1HG1 VAL 71 8.582 1.925 1.302 545 HG12 VAL 71 2HG1 VAL 71 7.565 3.381 1.188 546 HG13 VAL 71 3HG1 VAL 71 6.892 1.790 0.760 547 HG21 VAL 71 1HG2 VAL 71 6.260 3.448 -0.910 548 HG22 VAL 71 2HG2 VAL 71 7.482 4.187 -1.972 549 HG23 VAL 71 3HG2 VAL 71 6.837 2.571 -2.348 550 H ASP 72 H ASP 72 9.607 4.317 1.663 551 HA ASP 72 HA ASP 72 12.237 3.566 2.212 552 HB2 ASP 72 1HB ASP 72 10.015 4.894 3.552 553 HB3 ASP 72 2HB ASP 72 10.770 3.767 4.661 554 HA PRO 73 HA PRO 73 11.382 -0.609 3.318 555 HB2 PRO 73 1HB PRO 73 13.817 -1.294 4.351 556 HB3 PRO 73 2HB PRO 73 13.469 -1.299 2.634 557 HG2 PRO 73 1HG PRO 73 15.044 0.652 4.200 558 HG3 PRO 73 2HG PRO 73 15.035 0.386 2.468 559 HD2 PRO 73 1HD PRO 73 13.758 2.530 3.883 560 HD3 PRO 73 2HD PRO 73 13.653 2.199 2.165 561 H LYS 74 H LYS 74 12.440 1.745 5.587 562 HA LYS 74 HA LYS 74 11.692 0.008 7.792 563 HB2 LYS 74 1HB LYS 74 13.101 2.655 7.542 564 HB3 LYS 74 2HB LYS 74 12.407 2.174 9.076 565 HG2 LYS 74 1HG LYS 74 14.468 0.610 7.454 566 HG3 LYS 74 2HG LYS 74 14.757 1.450 8.965 567 HD2 LYS 74 1HD LYS 74 14.344 -0.572 9.944 568 HD3 LYS 74 2HD LYS 74 12.654 -0.184 9.687 569 HE2 LYS 74 1HE LYS 74 12.593 -2.151 8.518 570 HE3 LYS 74 2HE LYS 74 13.308 -1.219 7.217 571 HZ1 LYS 74 1HZ LYS 74 14.444 -3.350 8.074 572 HZ2 LYS 74 2HZ LYS 74 15.358 -2.065 7.650 573 HZ3 LYS 74 3HZ LYS 74 15.063 -2.372 9.227 574 H ALA 75 H ALA 75 9.804 1.159 5.631 575 HA ALA 75 HA ALA 75 8.012 2.544 7.506 576 HB1 ALA 75 1HB ALA 75 8.736 2.981 4.649 577 HB2 ALA 75 2HB ALA 75 7.012 3.154 5.056 578 HB3 ALA 75 3HB ALA 75 8.228 4.149 5.892 579 H THR 76 H THR 76 5.953 1.707 7.811 580 HA THR 76 HA THR 76 5.349 -0.733 6.271 581 HB THR 76 HB THR 76 4.117 -1.294 8.545 582 HG1 THR 76 1HG THR 76 4.518 0.868 9.419 583 HG21 THR 76 1HG2 THR 76 6.908 -1.352 9.352 584 HG22 THR 76 2HG2 THR 76 5.879 -2.714 8.847 585 HG23 THR 76 3HG2 THR 76 6.794 -1.791 7.631 586 H SER 77 H SER 77 4.580 2.464 6.596 587 HA SER 77 HA SER 77 1.897 1.881 5.689 588 HB2 SER 77 1HB SER 77 1.108 3.924 7.067 589 HB3 SER 77 2HB SER 77 1.373 2.423 7.932 590 HG SER 77 HG SER 77 2.440 3.925 9.164 591 H VAL 78 H VAL 78 1.013 3.595 4.299 592 HA VAL 78 HA VAL 78 2.791 5.800 3.689 593 HB VAL 78 HB VAL 78 3.517 3.814 2.324 594 HG11 VAL 78 1HG1 VAL 78 1.598 2.632 1.748 595 HG12 VAL 78 2HG1 VAL 78 0.696 4.102 1.309 596 HG13 VAL 78 3HG1 VAL 78 1.982 3.494 0.239 597 HG21 VAL 78 1HG2 VAL 78 3.443 6.459 1.701 598 HG22 VAL 78 2HG2 VAL 78 4.208 5.214 0.686 599 HG23 VAL 78 3HG2 VAL 78 2.559 5.772 0.317 600 H THR 79 H THR 79 1.701 7.455 2.357 601 HA THR 79 HA THR 79 -1.228 7.192 2.569 602 HB THR 79 HB THR 79 0.498 9.718 2.714 603 HG1 THR 79 1HG THR 79 -0.112 9.387 5.052 604 HG21 THR 79 1HG2 THR 79 -1.898 10.136 2.140 605 HG22 THR 79 2HG2 THR 79 -2.401 9.113 3.507 606 HG23 THR 79 3HG2 THR 79 -1.553 10.648 3.810 607 H VAL 80 H VAL 80 -2.461 7.448 0.789 608 HA VAL 80 HA VAL 80 -0.995 8.164 -1.653 609 HB VAL 80 HB VAL 80 -3.481 6.479 -1.291 610 HG11 VAL 80 1HG1 VAL 80 -2.853 5.842 -3.725 611 HG12 VAL 80 2HG1 VAL 80 -3.673 7.395 -3.434 612 HG13 VAL 80 3HG1 VAL 80 -1.916 7.355 -3.717 613 HG21 VAL 80 1HG2 VAL 80 -1.365 4.970 -2.410 614 HG22 VAL 80 2HG2 VAL 80 -0.685 5.830 -1.007 615 HG23 VAL 80 3HG2 VAL 80 -2.113 4.786 -0.805 616 H LYS 81 H LYS 81 -1.274 10.360 -1.866 617 HA LYS 81 HA LYS 81 -4.014 11.349 -1.537 618 HB2 LYS 81 1HB LYS 81 -1.496 13.019 -1.644 619 HB3 LYS 81 2HB LYS 81 -3.090 13.497 -1.096 620 HG2 LYS 81 1HG LYS 81 -2.948 12.066 0.862 621 HG3 LYS 81 2HG LYS 81 -1.515 11.262 0.253 622 HD2 LYS 81 1HD LYS 81 -0.739 13.943 0.238 623 HD3 LYS 81 2HD LYS 81 -1.763 13.860 1.658 624 HE2 LYS 81 1HE LYS 81 0.353 13.270 2.523 625 HE3 LYS 81 2HE LYS 81 -0.400 11.707 2.274 626 HZ1 LYS 81 1HZ LYS 81 1.206 11.215 0.877 627 HZ2 LYS 81 2HZ LYS 81 0.847 12.482 -0.089 628 HZ3 LYS 81 3HZ LYS 81 1.921 12.662 1.128 629 H GLY 82 H GLY 82 -5.028 12.508 -3.211 630 HA2 GLY 82 1HA GLY 82 -4.744 13.672 -5.330 631 HA3 GLY 82 2HA GLY 82 -3.601 12.430 -5.803 632 H LEU 83 H LEU 83 -5.714 10.630 -4.073 633 HA LEU 83 HA LEU 83 -6.833 9.365 -6.248 634 HB2 LEU 83 1HB LEU 83 -7.030 9.280 -3.352 635 HB3 LEU 83 2HB LEU 83 -8.568 8.921 -4.112 636 HG LEU 83 HG LEU 83 -7.818 6.970 -5.072 637 HD11 LEU 83 1HD1 LEU 83 -6.064 7.341 -6.444 638 HD12 LEU 83 2HD1 LEU 83 -5.225 8.392 -5.278 639 HD13 LEU 83 3HD1 LEU 83 -5.145 6.622 -5.100 640 HD21 LEU 83 1HD2 LEU 83 -7.358 5.790 -3.242 641 HD22 LEU 83 2HD2 LEU 83 -5.765 6.560 -3.050 642 HD23 LEU 83 3HD2 LEU 83 -7.218 7.343 -2.384 643 H VAL 84 H VAL 84 -9.148 9.218 -6.906 644 HA VAL 84 HA VAL 84 -10.279 11.915 -6.944 645 HB VAL 84 HB VAL 84 -10.678 9.492 -8.708 646 HG11 VAL 84 1HG1 VAL 84 -12.245 10.672 -9.991 647 HG12 VAL 84 2HG1 VAL 84 -12.723 11.022 -8.313 648 HG13 VAL 84 3HG1 VAL 84 -11.819 12.234 -9.252 649 HG21 VAL 84 1HG2 VAL 84 -8.548 10.547 -9.112 650 HG22 VAL 84 2HG2 VAL 84 -9.651 10.973 -10.443 651 HG23 VAL 84 3HG2 VAL 84 -9.302 12.159 -9.162 652 HA PRO 85 HA PRO 85 -13.507 10.568 -4.396 653 HB2 PRO 85 1HB PRO 85 -15.319 12.570 -4.822 654 HB3 PRO 85 2HB PRO 85 -13.961 12.724 -3.724 655 HG2 PRO 85 1HG PRO 85 -14.308 13.893 -6.417 656 HG3 PRO 85 2HG PRO 85 -13.188 14.361 -5.153 657 HD2 PRO 85 1HD PRO 85 -12.578 12.853 -7.515 658 HD3 PRO 85 2HD PRO 85 -11.485 13.222 -6.196 659 H ALA 86 H ALA 86 -15.252 9.217 -4.346 660 HA ALA 86 HA ALA 86 -16.931 8.026 -5.172 661 HB1 ALA 86 1HB ALA 86 -17.567 10.406 -6.097 662 HB2 ALA 86 2HB ALA 86 -17.078 9.719 -7.664 663 HB3 ALA 86 3HB ALA 86 -18.393 8.963 -6.732 664 H ARG 87 H ARG 87 -14.330 7.128 -5.486 665 HA ARG 87 HA ARG 87 -14.676 5.571 -7.864 666 HB2 ARG 87 1HB ARG 87 -12.334 7.458 -7.421 667 HB3 ARG 87 2HB ARG 87 -12.105 5.991 -8.353 668 HG2 ARG 87 1HG ARG 87 -14.366 6.889 -9.563 669 HG3 ARG 87 2HG ARG 87 -13.736 8.429 -9.012 670 HD2 ARG 87 1HD ARG 87 -11.529 7.888 -10.118 671 HD3 ARG 87 2HD ARG 87 -12.222 6.397 -10.723 672 HE ARG 87 HE ARG 87 -13.793 8.783 -11.399 673 HH11 ARG 87 2HH2 ARG 87 -11.169 6.662 -12.397 674 HH12 ARG 87 1HH2 ARG 87 -11.287 7.092 -14.070 675 HH21 ARG 87 2HH1 ARG 87 -13.949 9.352 -13.607 676 HH22 ARG 87 1HH1 ARG 87 -12.878 8.633 -14.764 677 H SER 88 H SER 88 -13.506 3.527 -7.746 678 HA SER 88 HA SER 88 -12.784 2.896 -5.036 679 HB2 SER 88 1HB SER 88 -13.153 1.176 -7.526 680 HB3 SER 88 2HB SER 88 -12.693 0.525 -5.965 681 HG SER 88 HG SER 88 -15.122 1.997 -6.546 682 H TYR 89 H TYR 89 -10.719 1.983 -4.424 683 HA TYR 89 HA TYR 89 -8.648 1.973 -6.472 684 HB2 TYR 89 1HB TYR 89 -8.821 3.638 -3.892 685 HB3 TYR 89 2HB TYR 89 -7.280 3.324 -4.665 686 HD1 TYR 89 1HD TYR 89 -6.803 4.263 -6.935 687 HD2 TYR 89 2HD TYR 89 -10.347 5.279 -4.765 688 HE1 TYR 89 1HE TYR 89 -7.157 6.280 -8.442 689 HE2 TYR 89 2HE TYR 89 -10.689 7.292 -6.279 690 HH TYR 89 HH TYR 89 -8.364 8.012 -8.872 691 H GLN 90 H GLN 90 -6.867 0.620 -5.966 692 HA GLN 90 HA GLN 90 -7.228 -0.869 -3.484 693 HB2 GLN 90 1HB GLN 90 -6.950 -1.816 -6.295 694 HB3 GLN 90 2HB GLN 90 -5.970 -2.680 -5.127 695 HG2 GLN 90 1HG GLN 90 -8.077 -2.943 -3.693 696 HG3 GLN 90 2HG GLN 90 -8.994 -2.279 -5.031 697 HE21 GLN 90 1HE2 GLN 90 -9.704 -4.680 -4.227 698 HE22 GLN 90 2HE2 GLN 90 -9.211 -5.935 -5.313 699 H PHE 91 H PHE 91 -5.097 -2.077 -2.854 700 HA PHE 91 HA PHE 91 -2.721 -0.731 -3.810 701 HB2 PHE 91 1HB PHE 91 -3.842 -0.673 -0.949 702 HB3 PHE 91 2HB PHE 91 -2.166 -0.298 -1.293 703 HD1 PHE 91 2HD PHE 91 -2.529 1.257 -3.837 704 HD2 PHE 91 1HD PHE 91 -4.646 1.381 -0.161 705 HE1 PHE 91 2HE PHE 91 -3.154 3.648 -4.277 706 HE2 PHE 91 1HE PHE 91 -5.271 3.771 -0.602 707 HZ PHE 91 HZ PHE 91 -4.518 4.877 -2.654 708 H ARG 92 H ARG 92 -0.795 -1.925 -3.414 709 HA ARG 92 HA ARG 92 -0.770 -4.085 -1.651 710 HB2 ARG 92 1HB ARG 92 -0.465 -5.878 -3.493 711 HB3 ARG 92 2HB ARG 92 -2.106 -5.336 -3.199 712 HG2 ARG 92 1HG ARG 92 -2.237 -4.160 -5.211 713 HG3 ARG 92 2HG ARG 92 -0.519 -3.813 -5.251 714 HD2 ARG 92 1HD ARG 92 -0.514 -6.580 -5.445 715 HD3 ARG 92 2HD ARG 92 -1.994 -6.181 -6.294 716 HE ARG 92 HE ARG 92 -0.309 -4.401 -7.440 717 HH11 ARG 92 2HH2 ARG 92 0.166 -7.812 -6.714 718 HH12 ARG 92 1HH2 ARG 92 1.267 -8.069 -8.026 719 HH21 ARG 92 2HH1 ARG 92 1.145 -4.740 -9.171 720 HH22 ARG 92 1HH1 ARG 92 1.828 -6.310 -9.432 721 H LEU 93 H LEU 93 1.313 -3.585 -0.980 722 HA LEU 93 HA LEU 93 3.296 -3.053 -3.063 723 HB2 LEU 93 1HB LEU 93 4.652 -2.197 -1.155 724 HB3 LEU 93 2HB LEU 93 3.195 -1.293 -1.519 725 HG LEU 93 HG LEU 93 3.123 -3.397 0.624 726 HD11 LEU 93 1HD1 LEU 93 4.931 -1.200 0.662 727 HD12 LEU 93 2HD1 LEU 93 3.628 -0.860 1.827 728 HD13 LEU 93 3HD1 LEU 93 4.565 -2.368 1.954 729 HD21 LEU 93 1HD2 LEU 93 1.379 -1.322 -0.377 730 HD22 LEU 93 2HD2 LEU 93 1.042 -2.640 0.770 731 HD23 LEU 93 3HD2 LEU 93 1.700 -1.094 1.359 732 H CYS 94 H CYS 94 5.580 -3.935 -2.494 733 HA CYS 94 HA CYS 94 5.315 -6.580 -1.282 734 HB2 CYS 94 1HB CYS 94 6.475 -7.664 -3.059 735 HB3 CYS 94 2HB CYS 94 5.164 -6.757 -3.786 736 HG CYS 94 HG CYS 94 7.692 -6.788 -5.015 737 H ALA 95 H ALA 95 7.763 -7.491 -1.084 738 HA ALA 95 HA ALA 95 9.289 -5.272 0.069 739 HB1 ALA 95 1HB ALA 95 8.674 -7.027 1.639 740 HB2 ALA 95 2HB ALA 95 9.328 -8.278 0.554 741 HB3 ALA 95 3HB ALA 95 10.426 -7.114 1.335 742 H VAL 96 H VAL 96 11.329 -4.759 -0.674 743 HA VAL 96 HA VAL 96 12.500 -6.575 -2.648 744 HB VAL 96 HB VAL 96 11.940 -3.626 -2.965 745 HG11 VAL 96 1HG1 VAL 96 13.188 -4.040 -5.223 746 HG12 VAL 96 2HG1 VAL 96 14.127 -3.705 -3.749 747 HG13 VAL 96 3HG1 VAL 96 13.967 -5.376 -4.342 748 HG21 VAL 96 1HG2 VAL 96 10.757 -4.269 -4.959 749 HG22 VAL 96 2HG2 VAL 96 11.304 -5.956 -4.802 750 HG23 VAL 96 3HG2 VAL 96 10.166 -5.275 -3.615 751 H ASN 97 H ASN 97 14.663 -6.904 -2.332 752 HA ASN 97 HA ASN 97 16.037 -4.940 -0.699 753 HB2 ASN 97 1HB ASN 97 17.224 -7.182 0.258 754 HB3 ASN 97 2HB ASN 97 15.808 -6.490 1.025 755 HD21 ASN 97 1HD2 ASN 97 15.929 -8.892 1.678 756 HD22 ASN 97 2HD2 ASN 97 14.949 -9.987 0.762 757 H ASP 98 H ASP 98 18.567 -6.097 -0.595 758 HA ASP 98 HA ASP 98 19.588 -5.658 -3.061 759 HB2 ASP 98 1HB ASP 98 21.645 -6.694 -2.230 760 HB3 ASP 98 2HB ASP 98 20.895 -5.783 -0.935 761 H VAL 99 H VAL 99 18.812 -8.820 -1.430 762 HA VAL 99 HA VAL 99 19.669 -10.574 -3.312 763 HB VAL 99 HB VAL 99 18.209 -12.131 -2.341 764 HG11 VAL 99 1HG1 VAL 99 18.351 -10.232 -0.027 765 HG12 VAL 99 2HG1 VAL 99 18.774 -11.959 -0.117 766 HG13 VAL 99 3HG1 VAL 99 19.866 -10.737 -0.814 767 HG21 VAL 99 1HG2 VAL 99 16.193 -11.500 -1.035 768 HG22 VAL 99 2HG2 VAL 99 16.442 -9.804 -1.515 769 HG23 VAL 99 3HG2 VAL 99 16.082 -11.034 -2.750 770 H GLY 100 H GLY 100 16.451 -8.900 -3.207 771 HA2 GLY 100 1HA GLY 100 16.118 -8.193 -5.745 772 HA3 GLY 100 2HA GLY 100 15.819 -9.916 -5.863 773 H LYS 101 H LYS 101 13.620 -8.932 -6.574 774 HA LYS 101 HA LYS 101 11.996 -7.842 -4.501 775 HB2 LYS 101 1HB LYS 101 11.826 -7.395 -7.005 776 HB3 LYS 101 2HB LYS 101 11.088 -8.977 -7.155 777 HG2 LYS 101 1HG LYS 101 9.107 -8.275 -6.252 778 HG3 LYS 101 2HG LYS 101 9.899 -7.379 -4.970 779 HD2 LYS 101 1HD LYS 101 8.638 -5.870 -6.502 780 HD3 LYS 101 2HD LYS 101 10.349 -5.496 -6.491 781 HE2 LYS 101 1HE LYS 101 10.683 -6.265 -8.664 782 HE3 LYS 101 2HE LYS 101 9.437 -7.491 -8.543 783 HZ1 LYS 101 1HZ LYS 101 9.218 -4.795 -9.405 784 HZ2 LYS 101 2HZ LYS 101 8.222 -6.059 -9.685 785 HZ3 LYS 101 3HZ LYS 101 8.070 -5.187 -8.312 786 H GLY 102 H GLY 102 10.082 -8.857 -3.568 787 HA2 GLY 102 1HA GLY 102 10.470 -11.769 -3.266 788 HA3 GLY 102 2HA GLY 102 9.791 -10.692 -2.062 789 H GLN 103 H GLN 103 7.585 -10.210 -2.073 790 HA GLN 103 HA GLN 103 6.085 -10.828 -4.438 791 HB2 GLN 103 1HB GLN 103 4.493 -12.322 -3.191 792 HB3 GLN 103 2HB GLN 103 6.087 -13.019 -3.398 793 HG2 GLN 103 1HG GLN 103 6.652 -12.771 -1.133 794 HG3 GLN 103 2HG GLN 103 5.570 -11.412 -0.898 795 HE21 GLN 103 1HE2 GLN 103 3.187 -12.179 -1.735 796 HE22 GLN 103 2HE2 GLN 103 2.577 -13.550 -0.870 797 H PHE 104 H PHE 104 3.876 -9.927 -4.355 798 HA PHE 104 HA PHE 104 3.816 -7.616 -2.626 799 HB2 PHE 104 1HB PHE 104 2.067 -8.744 -4.891 800 HB3 PHE 104 2HB PHE 104 1.713 -7.219 -4.103 801 HD1 PHE 104 2HD PHE 104 4.438 -8.957 -5.957 802 HD2 PHE 104 1HD PHE 104 2.625 -5.256 -4.944 803 HE1 PHE 104 2HE PHE 104 5.959 -7.772 -7.564 804 HE2 PHE 104 1HE PHE 104 4.146 -4.071 -6.551 805 HZ PHE 104 HZ PHE 104 5.795 -5.343 -7.842 806 H SER 105 H SER 105 1.466 -7.006 -1.800 807 HA SER 105 HA SER 105 0.628 -9.314 -0.265 808 HB2 SER 105 1HB SER 105 -0.707 -7.375 0.959 809 HB3 SER 105 2HB SER 105 1.004 -7.603 1.259 810 HG SER 105 HG SER 105 -0.274 -5.427 0.207 811 H LYS 106 H LYS 106 -1.824 -9.476 0.190 812 HA LYS 106 HA LYS 106 -3.179 -9.699 -2.241 813 HB2 LYS 106 1HB LYS 106 -3.738 -10.144 0.621 814 HB3 LYS 106 2HB LYS 106 -5.152 -9.753 -0.335 815 HG2 LYS 106 1HG LYS 106 -4.734 -12.205 -0.295 816 HG3 LYS 106 2HG LYS 106 -4.641 -11.568 -1.925 817 HD2 LYS 106 1HD LYS 106 -2.008 -11.339 -0.823 818 HD3 LYS 106 2HD LYS 106 -2.587 -12.935 -0.385 819 HE2 LYS 106 1HE LYS 106 -2.707 -13.660 -2.592 820 HE3 LYS 106 2HE LYS 106 -3.113 -12.072 -3.211 821 HZ1 LYS 106 1HZ LYS 106 -1.000 -11.933 -3.773 822 HZ2 LYS 106 2HZ LYS 106 -0.610 -11.802 -2.192 823 HZ3 LYS 106 3HZ LYS 106 -0.575 -13.262 -2.924 824 H ASP 107 H ASP 107 -5.336 -8.617 -2.740 825 HA ASP 107 HA ASP 107 -4.865 -5.877 -2.926 826 HB2 ASP 107 1HB ASP 107 -7.362 -5.898 -3.686 827 HB3 ASP 107 2HB ASP 107 -6.196 -6.783 -4.649 828 H THR 108 H THR 108 -5.110 -4.432 -1.214 829 HA THR 108 HA THR 108 -6.317 -5.047 1.200 830 HB THR 108 HB THR 108 -6.205 -2.489 1.462 831 HG1 THR 108 1HG THR 108 -6.555 -1.919 -0.750 832 HG21 THR 108 1HG2 THR 108 -3.952 -2.661 1.851 833 HG22 THR 108 2HG2 THR 108 -4.081 -4.332 1.252 834 HG23 THR 108 3HG2 THR 108 -3.622 -3.021 0.140 835 H GLU 109 H GLU 109 -8.289 -4.517 2.197 836 HA GLU 109 HA GLU 109 -10.513 -5.105 0.935 837 HB2 GLU 109 1HB GLU 109 -9.839 -3.835 3.399 838 HB3 GLU 109 2HB GLU 109 -11.146 -2.893 2.710 839 HG2 GLU 109 1HG GLU 109 -12.480 -4.997 2.393 840 HG3 GLU 109 2HG GLU 109 -11.178 -5.922 3.112 841 H ARG 110 H ARG 110 -11.731 -4.335 -0.742 842 HA ARG 110 HA ARG 110 -11.055 -2.435 -2.392 843 HB2 ARG 110 1HB ARG 110 -13.251 -3.998 -2.170 844 HB3 ARG 110 2HB ARG 110 -13.995 -2.481 -1.704 845 HG2 ARG 110 1HG ARG 110 -12.768 -1.537 -3.868 846 HG3 ARG 110 2HG ARG 110 -12.703 -3.223 -4.341 847 HD2 ARG 110 1HD ARG 110 -15.372 -2.612 -3.349 848 HD3 ARG 110 2HD ARG 110 -14.925 -1.432 -4.565 849 HE ARG 110 HE ARG 110 -14.941 -3.120 -6.203 850 HH11 ARG 110 2HH2 ARG 110 -15.038 -4.573 -3.000 851 HH12 ARG 110 1HH2 ARG 110 -15.367 -6.167 -3.593 852 HH21 ARG 110 2HH1 ARG 110 -15.376 -5.222 -6.987 853 HH22 ARG 110 1HH1 ARG 110 -15.560 -6.538 -5.876 854 H VAL 111 H VAL 111 -10.174 -0.472 -1.647 855 HA VAL 111 HA VAL 111 -11.705 1.076 0.271 856 HB VAL 111 HB VAL 111 -9.039 1.629 -1.045 857 HG11 VAL 111 1HG1 VAL 111 -9.970 3.660 -0.177 858 HG12 VAL 111 2HG1 VAL 111 -10.446 2.863 1.342 859 HG13 VAL 111 3HG1 VAL 111 -8.724 3.109 0.967 860 HG21 VAL 111 1HG2 VAL 111 -8.240 0.923 1.344 861 HG22 VAL 111 2HG2 VAL 111 -9.788 0.047 1.402 862 HG23 VAL 111 3HG2 VAL 111 -8.602 -0.326 0.128 863 H SER 112 H SER 112 -13.263 2.450 -0.398 864 HA SER 112 HA SER 112 -13.090 3.358 -3.148 865 HB2 SER 112 1HB SER 112 -15.185 2.206 -1.945 866 HB3 SER 112 2HB SER 112 -15.499 3.841 -1.398 867 HG SER 112 HG SER 112 -16.135 4.404 -3.370 868 H LEU 113 H LEU 113 -13.427 5.652 -3.654 869 HA LEU 113 HA LEU 113 -12.323 7.342 -1.589 870 HB2 LEU 113 1HB LEU 113 -12.368 7.257 -4.460 871 HB3 LEU 113 2HB LEU 113 -12.960 8.814 -3.915 872 HG LEU 113 HG LEU 113 -10.344 8.194 -4.310 873 HD11 LEU 113 1HD1 LEU 113 -10.496 10.173 -2.220 874 HD12 LEU 113 2HD1 LEU 113 -10.183 10.379 -3.960 875 HD13 LEU 113 3HD1 LEU 113 -11.856 10.365 -3.352 876 HD21 LEU 113 1HD2 LEU 113 -10.538 8.153 -1.309 877 HD22 LEU 113 2HD2 LEU 113 -10.592 6.643 -2.250 878 HD23 LEU 113 3HD2 LEU 113 -9.174 7.713 -2.365 879 HA PRO 114 HA PRO 114 -16.093 9.094 -0.431 880 HB2 PRO 114 1HB PRO 114 -15.296 11.527 0.525 881 HB3 PRO 114 2HB PRO 114 -15.160 10.043 1.448 882 HG2 PRO 114 1HG PRO 114 -13.034 11.576 0.081 883 HG3 PRO 114 2HG PRO 114 -12.879 10.362 1.335 884 HD2 PRO 114 1HD PRO 114 -12.364 10.013 -1.465 885 HD3 PRO 114 2HD PRO 114 -12.321 8.772 -0.229 886 H GLU 115 H GLU 115 -17.671 9.486 -1.843 887 HA GLU 115 HA GLU 115 -17.426 10.657 -4.182 888 HB2 GLU 115 1HB GLU 115 -19.568 9.968 -2.491 889 HB3 GLU 115 2HB GLU 115 -19.879 11.643 -2.900 890 HG2 GLU 115 1HG GLU 115 -19.789 11.160 -5.291 891 HG3 GLU 115 2HG GLU 115 -19.199 9.536 -4.999 892 H SER 116 H SER 116 -17.714 12.385 -1.042 893 HA SER 116 HA SER 116 -17.204 14.416 -0.464 894 HB2 SER 116 1HB SER 116 -15.220 14.046 -2.064 895 HB3 SER 116 2HB SER 116 -16.121 14.961 -3.257 896 HG SER 116 HG SER 116 -15.974 16.817 -2.022 897 H GLY 117 H GLY 117 -17.977 14.817 -4.005 898 HA2 GLY 117 1HA GLY 117 -19.918 16.891 -3.310 899 HA3 GLY 117 2HA GLY 117 -19.281 16.515 -4.898 900 HA PRO 118 HA PRO 118 -23.388 14.487 -4.317 901 HB2 PRO 118 1HB PRO 118 -24.964 16.113 -5.847 902 HB3 PRO 118 2HB PRO 118 -24.847 16.255 -4.105 903 HG2 PRO 118 1HG PRO 118 -23.657 17.980 -6.190 904 HG3 PRO 118 2HG PRO 118 -23.912 18.328 -4.491 905 HD2 PRO 118 1HD PRO 118 -21.427 17.638 -5.747 906 HD3 PRO 118 2HD PRO 118 -21.706 17.872 -4.032 907 H SER 119 H SER 119 -22.351 16.114 -7.274 908 HA SER 119 HA SER 119 -22.146 13.541 -8.495 909 HB2 SER 119 1HB SER 119 -24.530 14.024 -8.876 910 HB3 SER 119 2HB SER 119 -24.141 15.604 -9.528 911 HG SER 119 HG SER 119 -22.715 13.663 -10.865 912 H SER 120 H SER 120 -19.937 13.995 -8.852 913 HA SER 120 HA SER 120 -19.003 16.457 -9.687 914 HB2 SER 120 1HB SER 120 -17.774 14.330 -8.725 915 HB3 SER 120 2HB SER 120 -17.619 13.861 -10.406 916 HG SER 120 HG SER 120 -15.887 15.119 -10.398 917 H GLY 121 H GLY 121 -18.298 17.218 -11.791 918 HA2 GLY 121 1HA GLY 121 -20.009 16.809 -13.900 919 HA3 GLY 121 2HA GLY 121 -18.382 17.448 -14.027 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -2.812 -20.391 22.883 2 HA2 GLY 1 1HA GLY 1 -4.533 -22.283 22.425 3 HA3 GLY 1 2HA GLY 1 -5.572 -20.927 22.035 4 H SER 2 H SER 2 -3.329 -23.145 20.785 5 HA SER 2 HA SER 2 -2.363 -23.394 18.860 6 HB2 SER 2 1HB SER 2 -4.545 -21.475 18.228 7 HB3 SER 2 2HB SER 2 -3.250 -21.505 17.048 8 HG SER 2 HG SER 2 -3.647 -24.049 17.458 9 H SER 3 H SER 3 -0.194 -22.901 19.138 10 HA SER 3 HA SER 3 0.490 -20.080 18.838 11 HB2 SER 3 1HB SER 3 2.472 -20.510 20.229 12 HB3 SER 3 2HB SER 3 1.016 -20.962 21.093 13 HG SER 3 HG SER 3 2.028 -23.083 19.604 14 H GLY 4 H GLY 4 0.945 -19.962 16.627 15 HA2 GLY 4 1HA GLY 4 3.376 -21.097 15.702 16 HA3 GLY 4 2HA GLY 4 2.009 -21.975 15.046 17 H SER 5 H SER 5 3.626 -18.792 15.243 18 HA SER 5 HA SER 5 1.858 -17.287 13.829 19 HB2 SER 5 1HB SER 5 4.155 -16.702 14.963 20 HB3 SER 5 2HB SER 5 4.850 -17.049 13.393 21 HG SER 5 HG SER 5 4.335 -15.026 12.923 22 H SER 6 H SER 6 4.731 -19.111 12.521 23 HA SER 6 HA SER 6 3.206 -19.774 10.204 24 HB2 SER 6 1HB SER 6 5.463 -17.766 10.112 25 HB3 SER 6 2HB SER 6 5.230 -18.845 8.751 26 HG SER 6 HG SER 6 2.791 -17.958 9.270 27 H GLY 7 H GLY 7 6.626 -19.466 11.429 28 HA2 GLY 7 1HA GLY 7 7.501 -21.678 12.245 29 HA3 GLY 7 2HA GLY 7 7.044 -22.293 10.669 30 H ARG 8 H ARG 8 8.869 -22.606 9.465 31 HA ARG 8 HA ARG 8 10.734 -22.230 8.443 32 HB2 ARG 8 1HB ARG 8 9.400 -19.744 8.329 33 HB3 ARG 8 2HB ARG 8 11.022 -19.319 8.839 34 HG2 ARG 8 1HG ARG 8 11.740 -19.562 6.705 35 HG3 ARG 8 2HG ARG 8 11.346 -21.268 6.781 36 HD2 ARG 8 1HD ARG 8 9.303 -20.998 5.688 37 HD3 ARG 8 2HD ARG 8 9.048 -19.384 6.324 38 HE ARG 8 HE ARG 8 11.300 -19.203 4.631 39 HH11 ARG 8 2HH2 ARG 8 7.894 -20.033 4.323 40 HH12 ARG 8 1HH2 ARG 8 7.781 -19.499 2.679 41 HH21 ARG 8 2HH1 ARG 8 11.151 -18.498 2.462 42 HH22 ARG 8 1HH1 ARG 8 9.646 -18.620 1.613 43 H SER 9 H SER 9 12.917 -22.413 9.044 44 HA SER 9 HA SER 9 13.459 -21.865 11.798 45 HB2 SER 9 1HB SER 9 15.235 -23.078 9.632 46 HB3 SER 9 2HB SER 9 15.597 -23.060 11.347 47 HG SER 9 HG SER 9 14.432 -25.019 10.203 48 H ALA 10 H ALA 10 14.819 -20.245 12.602 49 HA ALA 10 HA ALA 10 15.972 -18.462 10.567 50 HB1 ALA 10 1HB ALA 10 14.047 -17.541 11.890 51 HB2 ALA 10 2HB ALA 10 15.007 -17.772 13.371 52 HB3 ALA 10 3HB ALA 10 15.563 -16.636 12.118 53 H HIS 11 H HIS 11 18.139 -18.760 10.437 54 HA HIS 11 HA HIS 11 19.806 -18.312 12.579 55 HB2 HIS 11 1HB HIS 11 18.720 -20.924 12.687 56 HB3 HIS 11 2HB HIS 11 20.374 -21.109 12.139 57 HD1 HIS 11 1HD HIS 11 18.424 -20.787 15.166 58 HD2 HIS 11 2HD HIS 11 22.279 -19.645 13.971 59 HE1 HIS 11 1HE HIS 11 19.739 -20.360 17.310 60 H LEU 12 H LEU 12 19.608 -20.632 9.780 61 HA LEU 12 HA LEU 12 22.219 -20.009 8.908 62 HB2 LEU 12 1HB LEU 12 20.037 -21.765 8.179 63 HB3 LEU 12 2HB LEU 12 20.764 -21.050 6.754 64 HG LEU 12 HG LEU 12 22.995 -21.813 8.137 65 HD11 LEU 12 1HD1 LEU 12 21.062 -24.090 8.573 66 HD12 LEU 12 2HD1 LEU 12 22.728 -23.909 9.170 67 HD13 LEU 12 3HD1 LEU 12 21.429 -22.890 9.835 68 HD21 LEU 12 1HD2 LEU 12 22.555 -24.020 6.611 69 HD22 LEU 12 2HD2 LEU 12 21.412 -22.867 5.881 70 HD23 LEU 12 3HD2 LEU 12 23.141 -22.458 5.990 71 H ARG 13 H ARG 13 22.283 -17.677 8.895 72 HA ARG 13 HA ARG 13 20.500 -16.104 7.569 73 HB2 ARG 13 1HB ARG 13 23.508 -15.757 7.996 74 HB3 ARG 13 2HB ARG 13 22.483 -14.475 7.381 75 HG2 ARG 13 1HG ARG 13 21.661 -14.000 9.452 76 HG3 ARG 13 2HG ARG 13 21.316 -15.685 9.787 77 HD2 ARG 13 1HD ARG 13 23.744 -16.055 10.341 78 HD3 ARG 13 2HD ARG 13 24.059 -14.357 10.044 79 HE ARG 13 HE ARG 13 21.904 -14.590 11.929 80 HH11 ARG 13 2HH2 ARG 13 25.384 -15.062 11.700 81 HH12 ARG 13 1HH2 ARG 13 25.664 -14.770 13.384 82 HH21 ARG 13 2HH1 ARG 13 22.273 -14.205 14.151 83 HH22 ARG 13 1HH1 ARG 13 23.882 -14.280 14.788 84 H VAL 14 H VAL 14 19.845 -16.816 5.497 85 HA VAL 14 HA VAL 14 21.993 -16.927 3.493 86 HB VAL 14 HB VAL 14 20.862 -19.094 4.025 87 HG11 VAL 14 1HG1 VAL 14 18.608 -18.226 4.473 88 HG12 VAL 14 2HG1 VAL 14 18.446 -17.751 2.765 89 HG13 VAL 14 3HG1 VAL 14 18.581 -19.472 3.201 90 HG21 VAL 14 1HG2 VAL 14 21.517 -17.943 1.523 91 HG22 VAL 14 2HG2 VAL 14 21.464 -19.668 1.957 92 HG23 VAL 14 3HG2 VAL 14 20.022 -18.877 1.277 93 H ARG 15 H ARG 15 21.834 -15.539 1.773 94 HA ARG 15 HA ARG 15 19.927 -13.500 1.976 95 HB2 ARG 15 1HB ARG 15 22.184 -14.218 0.123 96 HB3 ARG 15 2HB ARG 15 20.979 -13.120 -0.520 97 HG2 ARG 15 1HG ARG 15 21.390 -12.033 1.989 98 HG3 ARG 15 2HG ARG 15 22.982 -12.680 1.644 99 HD2 ARG 15 1HD ARG 15 21.746 -11.238 -0.649 100 HD3 ARG 15 2HD ARG 15 22.040 -10.226 0.751 101 HE ARG 15 HE ARG 15 24.042 -11.250 -1.028 102 HH11 ARG 15 2HH2 ARG 15 23.490 -10.708 2.405 103 HH12 ARG 15 1HH2 ARG 15 25.172 -10.524 2.776 104 HH21 ARG 15 2HH1 ARG 15 26.261 -11.008 -0.538 105 HH22 ARG 15 1HH1 ARG 15 26.759 -10.695 1.091 106 H GLN 16 H GLN 16 17.783 -14.215 1.668 107 HA GLN 16 HA GLN 16 17.281 -15.373 -0.962 108 HB2 GLN 16 1HB GLN 16 15.678 -16.865 -0.084 109 HB3 GLN 16 2HB GLN 16 16.972 -16.927 1.096 110 HG2 GLN 16 1HG GLN 16 15.697 -15.069 2.377 111 HG3 GLN 16 2HG GLN 16 14.349 -15.389 1.304 112 HE21 GLN 16 1HE2 GLN 16 16.703 -17.082 3.366 113 HE22 GLN 16 2HE2 GLN 16 15.621 -18.272 4.007 114 H LEU 17 H LEU 17 14.742 -15.087 -1.475 115 HA LEU 17 HA LEU 17 14.334 -12.287 -1.537 116 HB2 LEU 17 1HB LEU 17 12.761 -14.690 -2.421 117 HB3 LEU 17 2HB LEU 17 12.074 -13.081 -2.502 118 HG LEU 17 HG LEU 17 14.579 -14.036 -3.915 119 HD11 LEU 17 1HD1 LEU 17 11.786 -13.411 -4.894 120 HD12 LEU 17 2HD1 LEU 17 13.198 -13.559 -5.967 121 HD13 LEU 17 3HD1 LEU 17 12.670 -14.953 -4.994 122 HD21 LEU 17 1HD2 LEU 17 15.219 -11.921 -4.078 123 HD22 LEU 17 2HD2 LEU 17 13.716 -11.557 -4.960 124 HD23 LEU 17 3HD2 LEU 17 13.776 -11.376 -3.190 125 HA PRO 18 HA PRO 18 12.059 -11.793 2.099 126 HB2 PRO 18 1HB PRO 18 10.727 -9.468 1.563 127 HB3 PRO 18 2HB PRO 18 12.399 -9.516 2.083 128 HG2 PRO 18 1HG PRO 18 11.313 -8.991 -0.615 129 HG3 PRO 18 2HG PRO 18 12.908 -8.632 0.015 130 HD2 PRO 18 1HD PRO 18 12.201 -10.785 -1.745 131 HD3 PRO 18 2HD PRO 18 13.771 -10.494 -1.023 132 H HIS 19 H HIS 19 9.585 -10.744 2.646 133 HA HIS 19 HA HIS 19 7.894 -12.570 1.099 134 HB2 HIS 19 1HB HIS 19 8.317 -12.349 4.019 135 HB3 HIS 19 2HB HIS 19 6.639 -12.441 3.520 136 HD1 HIS 19 1HD HIS 19 6.136 -14.826 4.239 137 HD2 HIS 19 2HD HIS 19 9.522 -14.539 1.780 138 HE1 HIS 19 1HE HIS 19 6.802 -17.219 3.657 139 H ALA 20 H ALA 20 5.567 -11.913 1.037 140 HA ALA 20 HA ALA 20 5.355 -9.199 0.354 141 HB1 ALA 20 1HB ALA 20 3.427 -11.501 0.724 142 HB2 ALA 20 2HB ALA 20 2.836 -9.863 0.355 143 HB3 ALA 20 3HB ALA 20 3.931 -10.690 -0.779 144 HA PRO 21 HA PRO 21 4.184 -7.379 4.097 145 HB2 PRO 21 1HB PRO 21 2.413 -5.441 3.338 146 HB3 PRO 21 2HB PRO 21 4.149 -5.267 3.180 147 HG2 PRO 21 1HG PRO 21 2.141 -5.803 1.078 148 HG3 PRO 21 2HG PRO 21 3.782 -5.212 0.904 149 HD2 PRO 21 1HD PRO 21 2.853 -7.875 0.383 150 HD3 PRO 21 2HD PRO 21 4.511 -7.313 0.322 151 H GLU 22 H GLU 22 3.176 -8.285 5.765 152 HA GLU 22 HA GLU 22 0.663 -9.504 5.176 153 HB2 GLU 22 1HB GLU 22 2.209 -9.316 7.800 154 HB3 GLU 22 2HB GLU 22 0.815 -10.341 7.518 155 HG2 GLU 22 1HG GLU 22 2.264 -11.236 5.462 156 HG3 GLU 22 2HG GLU 22 3.608 -10.585 6.379 157 H HIS 23 H HIS 23 -1.113 -9.230 7.053 158 HA HIS 23 HA HIS 23 -2.752 -7.864 7.648 159 HB2 HIS 23 1HB HIS 23 -0.497 -7.516 9.297 160 HB3 HIS 23 2HB HIS 23 -1.140 -5.904 9.054 161 HD1 HIS 23 1HD HIS 23 -3.627 -5.458 9.883 162 HD2 HIS 23 2HD HIS 23 -2.033 -9.195 10.926 163 HE1 HIS 23 1HE HIS 23 -5.151 -6.403 11.698 164 HA PRO 24 HA PRO 24 -1.692 -4.638 4.539 165 HB2 PRO 24 1HB PRO 24 -2.939 -5.657 2.332 166 HB3 PRO 24 2HB PRO 24 -1.224 -5.848 2.637 167 HG2 PRO 24 1HG PRO 24 -3.390 -7.841 2.917 168 HG3 PRO 24 2HG PRO 24 -1.662 -8.107 2.801 169 HD2 PRO 24 1HD PRO 24 -3.262 -8.235 5.178 170 HD3 PRO 24 2HD PRO 24 -1.519 -8.386 5.079 171 H VAL 25 H VAL 25 -2.876 -3.113 5.606 172 HA VAL 25 HA VAL 25 -5.764 -3.379 5.153 173 HB VAL 25 HB VAL 25 -6.118 -2.601 7.216 174 HG11 VAL 25 1HG1 VAL 25 -4.680 -3.515 8.773 175 HG12 VAL 25 2HG1 VAL 25 -4.157 -4.362 7.297 176 HG13 VAL 25 3HG1 VAL 25 -3.221 -2.976 7.907 177 HG21 VAL 25 1HG2 VAL 25 -3.919 -0.664 6.580 178 HG22 VAL 25 2HG2 VAL 25 -5.603 -0.361 7.069 179 HG23 VAL 25 3HG2 VAL 25 -4.406 -0.888 8.277 180 H ALA 26 H ALA 26 -6.959 -1.463 4.508 181 HA ALA 26 HA ALA 26 -5.358 0.776 3.586 182 HB1 ALA 26 1HB ALA 26 -5.523 -1.058 1.765 183 HB2 ALA 26 2HB ALA 26 -7.243 -0.611 1.662 184 HB3 ALA 26 3HB ALA 26 -5.986 0.600 1.314 185 H THR 27 H THR 27 -6.363 2.358 4.750 186 HA THR 27 HA THR 27 -9.298 2.459 4.525 187 HB THR 27 HB THR 27 -8.881 3.649 6.914 188 HG1 THR 27 1HG THR 27 -6.628 3.374 7.032 189 HG21 THR 27 1HG2 THR 27 -9.279 1.511 8.040 190 HG22 THR 27 2HG2 THR 27 -10.200 1.494 6.517 191 HG23 THR 27 3HG2 THR 27 -8.661 0.608 6.636 192 H LEU 28 H LEU 28 -10.236 4.623 4.626 193 HA LEU 28 HA LEU 28 -8.878 6.368 2.922 194 HB2 LEU 28 1HB LEU 28 -11.441 6.153 4.212 195 HB3 LEU 28 2HB LEU 28 -10.857 7.801 4.330 196 HG LEU 28 HG LEU 28 -11.218 6.201 1.782 197 HD11 LEU 28 1HD1 LEU 28 -13.166 7.318 1.399 198 HD12 LEU 28 2HD1 LEU 28 -13.203 7.285 3.179 199 HD13 LEU 28 3HD1 LEU 28 -12.664 8.752 2.327 200 HD21 LEU 28 1HD2 LEU 28 -9.985 8.903 2.279 201 HD22 LEU 28 2HD2 LEU 28 -9.378 7.545 1.301 202 HD23 LEU 28 3HD2 LEU 28 -10.760 8.508 0.726 203 H SER 29 H SER 29 -8.402 8.738 3.478 204 HA SER 29 HA SER 29 -6.824 8.684 5.911 205 HB2 SER 29 1HB SER 29 -6.355 9.638 3.257 206 HB3 SER 29 2HB SER 29 -6.402 11.054 4.288 207 HG SER 29 HG SER 29 -4.927 9.549 5.732 208 H THR 30 H THR 30 -8.095 9.375 7.627 209 HA THR 30 HA THR 30 -10.124 11.361 7.254 210 HB THR 30 HB THR 30 -10.454 10.974 9.686 211 HG1 THR 30 1HG THR 30 -8.787 9.602 10.703 212 HG21 THR 30 1HG2 THR 30 -10.403 8.381 9.709 213 HG22 THR 30 2HG2 THR 30 -11.396 9.130 8.436 214 HG23 THR 30 3HG2 THR 30 -9.783 8.487 8.044 215 H VAL 31 H VAL 31 -6.825 11.633 7.210 216 HA VAL 31 HA VAL 31 -6.913 14.209 8.618 217 HB VAL 31 HB VAL 31 -4.537 14.003 8.879 218 HG11 VAL 31 1HG1 VAL 31 -6.432 12.141 9.979 219 HG12 VAL 31 2HG1 VAL 31 -4.849 11.343 9.818 220 HG13 VAL 31 3HG1 VAL 31 -4.992 12.860 10.738 221 HG21 VAL 31 1HG2 VAL 31 -4.735 11.389 7.343 222 HG22 VAL 31 2HG2 VAL 31 -4.020 12.903 6.738 223 HG23 VAL 31 3HG2 VAL 31 -3.271 12.051 8.110 224 H GLU 32 H GLU 32 -6.149 12.475 5.583 225 HA GLU 32 HA GLU 32 -5.789 15.100 4.359 226 HB2 GLU 32 1HB GLU 32 -4.175 12.697 4.223 227 HB3 GLU 32 2HB GLU 32 -4.791 13.056 2.623 228 HG2 GLU 32 1HG GLU 32 -3.400 15.104 4.413 229 HG3 GLU 32 2HG GLU 32 -2.585 14.185 3.163 230 H ARG 33 H ARG 33 -7.017 15.605 2.510 231 HA ARG 33 HA ARG 33 -9.295 13.926 2.169 232 HB2 ARG 33 1HB ARG 33 -8.453 16.681 1.279 233 HB3 ARG 33 2HB ARG 33 -9.682 15.878 0.322 234 HG2 ARG 33 1HG ARG 33 -9.852 16.200 3.354 235 HG3 ARG 33 2HG ARG 33 -10.580 17.321 2.221 236 HD2 ARG 33 1HD ARG 33 -11.908 15.415 1.230 237 HD3 ARG 33 2HD ARG 33 -11.219 14.338 2.429 238 HE ARG 33 HE ARG 33 -12.250 16.347 3.995 239 HH11 ARG 33 2HH2 ARG 33 -13.623 14.422 1.389 240 HH12 ARG 33 1HH2 ARG 33 -15.239 14.506 2.007 241 HH21 ARG 33 2HH1 ARG 33 -14.382 16.457 4.811 242 HH22 ARG 33 1HH1 ARG 33 -15.673 15.671 3.967 243 H ARG 34 H ARG 34 -9.878 12.797 0.233 244 HA ARG 34 HA ARG 34 -9.576 11.691 -1.598 245 HB2 ARG 34 1HB ARG 34 -8.496 14.315 -2.198 246 HB3 ARG 34 2HB ARG 34 -7.521 13.122 -3.032 247 HG2 ARG 34 1HG ARG 34 -9.322 12.335 -4.323 248 HG3 ARG 34 2HG ARG 34 -10.524 12.831 -3.147 249 HD2 ARG 34 1HD ARG 34 -10.379 14.240 -5.309 250 HD3 ARG 34 2HD ARG 34 -10.398 15.129 -3.799 251 HE ARG 34 HE ARG 34 -7.679 14.622 -4.368 252 HH11 ARG 34 2HH2 ARG 34 -10.353 16.362 -5.852 253 HH12 ARG 34 1HH2 ARG 34 -9.333 17.528 -6.625 254 HH21 ARG 34 2HH1 ARG 34 -6.332 16.161 -5.387 255 HH22 ARG 34 1HH1 ARG 34 -7.030 17.414 -6.358 256 H ALA 35 H ALA 35 -7.731 11.349 0.784 257 HA ALA 35 HA ALA 35 -5.509 10.050 -0.640 258 HB1 ALA 35 1HB ALA 35 -4.052 10.634 1.137 259 HB2 ALA 35 2HB ALA 35 -4.991 12.112 0.822 260 HB3 ALA 35 3HB ALA 35 -5.400 11.077 2.211 261 H ILE 36 H ILE 36 -4.591 8.154 0.717 262 HA ILE 36 HA ILE 36 -6.668 6.894 2.325 263 HB ILE 36 HB ILE 36 -5.504 5.781 -0.218 264 HG12 ILE 36 1HG1 ILE 36 -8.379 5.906 0.724 265 HG13 ILE 36 2HG1 ILE 36 -7.626 7.171 -0.227 266 HG21 ILE 36 1HG2 ILE 36 -6.103 4.356 2.236 267 HG22 ILE 36 2HG2 ILE 36 -7.143 3.815 0.897 268 HG23 ILE 36 3HG2 ILE 36 -5.372 3.772 0.721 269 HD11 ILE 36 1HD1 ILE 36 -7.966 4.248 -1.033 270 HD12 ILE 36 2HD1 ILE 36 -8.780 5.660 -1.748 271 HD13 ILE 36 3HD1 ILE 36 -7.029 5.434 -1.973 272 H ASN 37 H ASN 37 -5.852 5.613 3.984 273 HA ASN 37 HA ASN 37 -2.975 5.811 4.252 274 HB2 ASN 37 1HB ASN 37 -5.265 5.905 6.081 275 HB3 ASN 37 2HB ASN 37 -4.128 4.681 6.611 276 HD21 ASN 37 1HD2 ASN 37 -4.948 7.573 7.361 277 HD22 ASN 37 2HD2 ASN 37 -3.445 8.379 7.664 278 H LEU 38 H LEU 38 -1.684 3.915 4.328 279 HA LEU 38 HA LEU 38 -3.134 1.364 4.354 280 HB2 LEU 38 1HB LEU 38 -2.415 2.123 2.056 281 HB3 LEU 38 2HB LEU 38 -0.756 1.972 2.599 282 HG LEU 38 HG LEU 38 -1.758 -0.490 3.269 283 HD11 LEU 38 1HD1 LEU 38 -3.919 -0.014 2.217 284 HD12 LEU 38 2HD1 LEU 38 -3.099 0.306 0.670 285 HD13 LEU 38 3HD1 LEU 38 -3.055 -1.326 1.379 286 HD21 LEU 38 1HD2 LEU 38 0.311 0.375 1.876 287 HD22 LEU 38 2HD2 LEU 38 -0.262 -1.305 1.741 288 HD23 LEU 38 3HD2 LEU 38 -0.704 -0.112 0.497 289 H THR 39 H THR 39 -2.256 -0.226 5.649 290 HA THR 39 HA THR 39 0.420 0.231 6.725 291 HB THR 39 HB THR 39 -0.297 0.475 8.934 292 HG1 THR 39 1HG THR 39 -2.473 -1.132 7.850 293 HG21 THR 39 1HG2 THR 39 -1.488 2.316 7.628 294 HG22 THR 39 2HG2 THR 39 -2.907 1.245 7.530 295 HG23 THR 39 3HG2 THR 39 -2.337 1.826 9.113 296 H TRP 40 H TRP 40 1.595 -1.582 6.698 297 HA TRP 40 HA TRP 40 0.097 -4.112 6.694 298 HB2 TRP 40 1HB TRP 40 1.766 -5.007 5.130 299 HB3 TRP 40 2HB TRP 40 0.786 -3.727 4.442 300 HD1 TRP 40 HD TRP 40 4.399 -4.606 5.151 301 HE1 TRP 40 1HE TRP 40 6.066 -2.740 4.310 302 HE3 TRP 40 3HE TRP 40 0.833 -1.107 4.208 303 HZ2 TRP 40 2HZ TRP 40 5.713 -0.070 3.367 304 HZ3 TRP 40 3HZ TRP 40 1.578 1.103 3.329 305 HH2 TRP 40 HH TRP 40 3.924 1.647 2.908 306 H THR 41 H THR 41 1.850 -5.971 7.186 307 HA THR 41 HA THR 41 3.261 -5.046 9.581 308 HB THR 41 HB THR 41 1.789 -7.485 8.707 309 HG1 THR 41 1HG THR 41 1.029 -6.928 10.712 310 HG21 THR 41 1HG2 THR 41 3.113 -8.848 10.441 311 HG22 THR 41 2HG2 THR 41 3.948 -8.600 8.889 312 HG23 THR 41 3HG2 THR 41 4.394 -7.619 10.306 313 H LYS 42 H LYS 42 5.410 -5.897 10.074 314 HA LYS 42 HA LYS 42 7.054 -5.706 7.737 315 HB2 LYS 42 1HB LYS 42 7.409 -4.797 10.193 316 HB3 LYS 42 2HB LYS 42 8.107 -6.380 10.463 317 HG2 LYS 42 1HG LYS 42 8.964 -4.875 7.995 318 HG3 LYS 42 2HG LYS 42 9.576 -4.319 9.540 319 HD2 LYS 42 1HD LYS 42 10.092 -6.930 9.898 320 HD3 LYS 42 2HD LYS 42 10.052 -6.955 8.147 321 HE2 LYS 42 1HE LYS 42 12.357 -6.544 9.118 322 HE3 LYS 42 2HE LYS 42 11.832 -5.311 7.989 323 HZ1 LYS 42 1HZ LYS 42 12.781 -4.612 10.230 324 HZ2 LYS 42 2HZ LYS 42 11.452 -3.836 9.685 325 HZ3 LYS 42 3HZ LYS 42 11.312 -4.982 10.840 326 HA PRO 43 HA PRO 43 6.965 -10.055 7.207 327 HB2 PRO 43 1HB PRO 43 8.097 -10.096 4.719 328 HB3 PRO 43 2HB PRO 43 6.377 -9.890 4.986 329 HG2 PRO 43 1HG PRO 43 8.388 -7.866 4.213 330 HG3 PRO 43 2HG PRO 43 6.643 -7.789 4.073 331 HD2 PRO 43 1HD PRO 43 8.266 -6.481 6.043 332 HD3 PRO 43 2HD PRO 43 6.515 -6.499 5.972 333 H PHE 44 H PHE 44 8.614 -11.814 6.466 334 HA PHE 44 HA PHE 44 10.886 -11.301 8.138 335 HB2 PHE 44 1HB PHE 44 9.719 -13.496 8.097 336 HB3 PHE 44 2HB PHE 44 9.890 -13.600 6.356 337 HD1 PHE 44 1HD PHE 44 12.378 -13.586 5.480 338 HD2 PHE 44 2HD PHE 44 11.236 -14.619 9.434 339 HE1 PHE 44 1HE PHE 44 14.523 -14.857 5.767 340 HE2 PHE 44 2HE PHE 44 13.381 -15.890 9.722 341 HZ PHE 44 HZ PHE 44 14.999 -15.994 7.884 342 H ASP 45 H ASP 45 12.889 -10.638 7.502 343 HA ASP 45 HA ASP 45 13.261 -10.079 4.743 344 HB2 ASP 45 1HB ASP 45 15.269 -8.961 5.439 345 HB3 ASP 45 2HB ASP 45 14.086 -8.653 6.694 346 H GLY 46 H GLY 46 14.680 -11.204 3.305 347 HA2 GLY 46 1HA GLY 46 15.380 -13.894 4.046 348 HA3 GLY 46 2HA GLY 46 15.608 -13.112 2.494 349 H ASN 47 H ASN 47 16.784 -12.429 5.873 350 HA ASN 47 HA ASN 47 18.769 -12.118 6.685 351 HB2 ASN 47 1HB ASN 47 19.313 -14.378 5.781 352 HB3 ASN 47 2HB ASN 47 19.734 -13.679 4.230 353 HD21 ASN 47 1HD2 ASN 47 21.792 -14.624 4.436 354 HD22 ASN 47 2HD2 ASN 47 23.037 -13.917 5.411 355 H SER 48 H SER 48 17.549 -10.433 4.334 356 HA SER 48 HA SER 48 20.011 -8.975 3.786 357 HB2 SER 48 1HB SER 48 19.416 -10.054 1.705 358 HB3 SER 48 2HB SER 48 17.729 -9.612 1.876 359 HG SER 48 HG SER 48 19.678 -8.226 0.639 360 HA PRO 49 HA PRO 49 17.697 -5.626 5.335 361 HB2 PRO 49 1HB PRO 49 19.182 -3.516 4.436 362 HB3 PRO 49 2HB PRO 49 19.607 -4.451 5.856 363 HG2 PRO 49 1HG PRO 49 20.830 -4.508 3.165 364 HG3 PRO 49 2HG PRO 49 21.484 -5.095 4.681 365 HD2 PRO 49 1HD PRO 49 20.356 -6.678 2.572 366 HD3 PRO 49 2HD PRO 49 20.904 -7.251 4.134 367 H LEU 50 H LEU 50 15.690 -5.111 4.764 368 HA LEU 50 HA LEU 50 14.783 -5.134 2.224 369 HB2 LEU 50 1HB LEU 50 13.875 -3.425 4.541 370 HB3 LEU 50 2HB LEU 50 12.968 -3.624 3.055 371 HG LEU 50 HG LEU 50 13.720 -5.877 4.939 372 HD11 LEU 50 1HD1 LEU 50 11.180 -5.860 5.343 373 HD12 LEU 50 2HD1 LEU 50 12.168 -4.613 6.142 374 HD13 LEU 50 3HD1 LEU 50 11.225 -4.205 4.688 375 HD21 LEU 50 1HD2 LEU 50 13.034 -7.318 3.397 376 HD22 LEU 50 2HD2 LEU 50 11.518 -6.419 3.149 377 HD23 LEU 50 3HD2 LEU 50 12.978 -5.971 2.235 378 H ILE 51 H ILE 51 14.635 -3.743 0.464 379 HA ILE 51 HA ILE 51 16.452 -1.466 0.614 380 HB ILE 51 HB ILE 51 15.333 -3.115 -1.638 381 HG12 ILE 51 1HG1 ILE 51 17.352 -3.859 -0.282 382 HG13 ILE 51 2HG1 ILE 51 17.551 -3.783 -2.021 383 HG21 ILE 51 1HG2 ILE 51 16.692 -0.422 -1.779 384 HG22 ILE 51 2HG2 ILE 51 16.708 -1.580 -3.130 385 HG23 ILE 51 3HG2 ILE 51 15.161 -0.939 -2.526 386 HD11 ILE 51 1HD1 ILE 51 18.613 -1.532 -1.806 387 HD12 ILE 51 2HD1 ILE 51 18.432 -1.635 -0.038 388 HD13 ILE 51 3HD1 ILE 51 19.499 -2.775 -0.892 389 H ARG 52 H ARG 52 13.199 -2.284 -0.797 390 HA ARG 52 HA ARG 52 12.136 0.076 0.335 391 HB2 ARG 52 1HB ARG 52 11.527 1.209 -1.774 392 HB3 ARG 52 2HB ARG 52 13.267 1.031 -1.683 393 HG2 ARG 52 1HG ARG 52 13.258 -0.837 -3.222 394 HG3 ARG 52 2HG ARG 52 11.518 -1.015 -3.110 395 HD2 ARG 52 1HD ARG 52 11.431 0.268 -4.998 396 HD3 ARG 52 2HD ARG 52 11.752 1.627 -3.940 397 HE ARG 52 HE ARG 52 13.672 0.320 -5.754 398 HH11 ARG 52 2HH2 ARG 52 13.242 2.499 -3.024 399 HH12 ARG 52 1HH2 ARG 52 14.777 3.274 -3.237 400 HH21 ARG 52 2HH1 ARG 52 15.696 1.342 -6.035 401 HH22 ARG 52 1HH1 ARG 52 16.182 2.612 -4.961 402 H TYR 53 H TYR 53 9.856 0.344 -1.416 403 HA TYR 53 HA TYR 53 8.783 -2.346 -1.695 404 HB2 TYR 53 1HB TYR 53 8.041 -0.155 0.275 405 HB3 TYR 53 2HB TYR 53 6.708 -1.038 -0.441 406 HD1 TYR 53 2HD TYR 53 9.848 -1.486 1.522 407 HD2 TYR 53 1HD TYR 53 6.083 -3.167 0.379 408 HE1 TYR 53 2HE TYR 53 10.147 -3.340 3.235 409 HE2 TYR 53 1HE TYR 53 6.396 -5.016 2.096 410 HH TYR 53 HH TYR 53 7.981 -6.066 3.338 411 H ILE 54 H ILE 54 7.685 -2.477 -3.588 412 HA ILE 54 HA ILE 54 7.002 0.031 -4.894 413 HB ILE 54 HB ILE 54 6.950 -2.790 -5.968 414 HG12 ILE 54 1HG1 ILE 54 9.151 -0.734 -6.298 415 HG13 ILE 54 2HG1 ILE 54 9.205 -2.035 -5.124 416 HG21 ILE 54 1HG2 ILE 54 7.417 -0.941 -8.017 417 HG22 ILE 54 2HG2 ILE 54 5.927 -1.864 -7.708 418 HG23 ILE 54 3HG2 ILE 54 6.117 -0.229 -7.031 419 HD11 ILE 54 1HD1 ILE 54 9.611 -2.127 -8.048 420 HD12 ILE 54 2HD1 ILE 54 10.147 -3.268 -6.791 421 HD13 ILE 54 3HD1 ILE 54 8.500 -3.385 -7.456 422 H LEU 55 H LEU 55 5.079 0.856 -4.213 423 HA LEU 55 HA LEU 55 2.924 -0.999 -3.628 424 HB2 LEU 55 1HB LEU 55 3.129 0.602 -1.973 425 HB3 LEU 55 2HB LEU 55 3.468 1.896 -3.105 426 HG LEU 55 HG LEU 55 0.925 1.233 -3.847 427 HD11 LEU 55 1HD1 LEU 55 0.620 -0.404 -2.097 428 HD12 LEU 55 2HD1 LEU 55 1.101 0.778 -0.856 429 HD13 LEU 55 3HD1 LEU 55 -0.407 1.013 -1.772 430 HD21 LEU 55 1HD2 LEU 55 2.145 3.455 -3.083 431 HD22 LEU 55 2HD2 LEU 55 0.370 3.331 -3.137 432 HD23 LEU 55 3HD2 LEU 55 1.228 3.162 -1.586 433 H GLU 56 H GLU 56 1.424 -1.563 -5.107 434 HA GLU 56 HA GLU 56 1.201 0.203 -7.418 435 HB2 GLU 56 1HB GLU 56 1.033 -2.810 -7.146 436 HB3 GLU 56 2HB GLU 56 0.256 -2.006 -8.496 437 HG2 GLU 56 1HG GLU 56 2.582 -2.749 -9.047 438 HG3 GLU 56 2HG GLU 56 2.380 -1.016 -9.217 439 H MET 57 H MET 57 -0.726 1.255 -7.650 440 HA MET 57 HA MET 57 -2.919 0.273 -6.018 441 HB2 MET 57 1HB MET 57 -2.237 2.638 -5.686 442 HB3 MET 57 2HB MET 57 -2.370 2.955 -7.405 443 HG2 MET 57 1HG MET 57 -4.860 2.286 -7.205 444 HG3 MET 57 2HG MET 57 -4.639 2.319 -5.466 445 HE1 MET 57 1HE MET 57 -3.449 5.653 -8.232 446 HE2 MET 57 2HE MET 57 -3.780 3.949 -8.623 447 HE3 MET 57 3HE MET 57 -5.107 5.135 -8.619 448 H SER 58 H SER 58 -5.073 0.037 -6.903 449 HA SER 58 HA SER 58 -5.070 -0.086 -9.817 450 HB2 SER 58 1HB SER 58 -5.155 -2.354 -9.357 451 HB3 SER 58 2HB SER 58 -5.880 -2.123 -7.779 452 HG SER 58 HG SER 58 -7.389 -1.499 -10.143 453 H GLU 59 H GLU 59 -6.444 1.480 -10.575 454 HA GLU 59 HA GLU 59 -8.428 2.542 -8.840 455 HB2 GLU 59 1HB GLU 59 -7.061 3.885 -10.506 456 HB3 GLU 59 2HB GLU 59 -7.969 3.124 -11.797 457 HG2 GLU 59 1HG GLU 59 -10.005 3.994 -10.118 458 HG3 GLU 59 2HG GLU 59 -8.805 5.253 -9.899 459 H ASN 60 H ASN 60 -10.108 1.108 -8.420 460 HA ASN 60 HA ASN 60 -11.861 -0.124 -8.750 461 HB2 ASN 60 1HB ASN 60 -11.928 1.683 -11.173 462 HB3 ASN 60 2HB ASN 60 -13.057 0.344 -11.136 463 HD21 ASN 60 1HD2 ASN 60 -12.366 3.474 -10.097 464 HD22 ASN 60 2HD2 ASN 60 -13.649 3.704 -8.957 465 H ASN 61 H ASN 61 -11.453 0.007 -12.299 466 HA ASN 61 HA ASN 61 -10.640 -2.789 -12.199 467 HB2 ASN 61 1HB ASN 61 -12.286 -1.173 -14.189 468 HB3 ASN 61 2HB ASN 61 -11.525 -2.670 -14.691 469 HD21 ASN 61 1HD2 ASN 61 -13.000 -4.179 -14.791 470 HD22 ASN 61 2HD2 ASN 61 -14.199 -4.555 -13.598 471 H ALA 62 H ALA 62 -8.732 -0.619 -11.905 472 HA ALA 62 HA ALA 62 -7.530 -0.366 -14.555 473 HB1 ALA 62 1HB ALA 62 -7.580 1.199 -12.047 474 HB2 ALA 62 2HB ALA 62 -5.974 1.085 -12.806 475 HB3 ALA 62 3HB ALA 62 -7.350 1.738 -13.727 476 HA PRO 63 HA PRO 63 -4.503 -3.295 -13.568 477 HB2 PRO 63 1HB PRO 63 -2.475 -2.559 -15.245 478 HB3 PRO 63 2HB PRO 63 -3.865 -3.487 -15.772 479 HG2 PRO 63 1HG PRO 63 -3.257 -0.632 -16.239 480 HG3 PRO 63 2HG PRO 63 -4.388 -1.667 -17.089 481 HD2 PRO 63 1HD PRO 63 -5.026 0.326 -15.127 482 HD3 PRO 63 2HD PRO 63 -6.143 -0.788 -15.891 483 H TRP 64 H TRP 64 -2.806 -3.801 -12.210 484 HA TRP 64 HA TRP 64 -2.219 -2.055 -10.247 485 HB2 TRP 64 1HB TRP 64 -0.345 -4.135 -11.390 486 HB3 TRP 64 2HB TRP 64 -0.223 -3.404 -9.802 487 HD1 TRP 64 HD TRP 64 -1.470 -6.480 -11.277 488 HE1 TRP 64 1HE TRP 64 -3.244 -7.765 -9.804 489 HE3 TRP 64 3HE TRP 64 -2.499 -2.583 -8.177 490 HZ2 TRP 64 2HZ TRP 64 -4.841 -7.024 -7.558 491 HZ3 TRP 64 3HZ TRP 64 -4.177 -2.947 -6.371 492 HH2 TRP 64 HH TRP 64 -5.333 -5.075 -6.035 493 H THR 65 H THR 65 -1.529 0.039 -10.443 494 HA THR 65 HA THR 65 0.544 0.576 -12.464 495 HB THR 65 HB THR 65 -1.914 1.674 -12.376 496 HG1 THR 65 1HG THR 65 -0.041 2.170 -13.795 497 HG21 THR 65 1HG2 THR 65 -1.547 2.579 -10.015 498 HG22 THR 65 2HG2 THR 65 -0.208 3.554 -10.666 499 HG23 THR 65 3HG2 THR 65 -1.872 3.839 -11.230 500 H VAL 66 H VAL 66 2.548 0.698 -11.688 501 HA VAL 66 HA VAL 66 3.155 0.796 -8.995 502 HB VAL 66 HB VAL 66 4.747 1.580 -11.441 503 HG11 VAL 66 1HG1 VAL 66 6.757 1.303 -10.055 504 HG12 VAL 66 2HG1 VAL 66 5.723 2.615 -9.440 505 HG13 VAL 66 3HG1 VAL 66 5.737 1.034 -8.621 506 HG21 VAL 66 1HG2 VAL 66 5.078 -0.954 -9.848 507 HG22 VAL 66 2HG2 VAL 66 3.797 -0.823 -11.076 508 HG23 VAL 66 3HG2 VAL 66 5.502 -0.617 -11.544 509 H LEU 67 H LEU 67 2.297 2.379 -7.696 510 HA LEU 67 HA LEU 67 2.237 5.098 -8.643 511 HB2 LEU 67 1HB LEU 67 1.040 3.516 -6.489 512 HB3 LEU 67 2HB LEU 67 1.527 5.122 -5.983 513 HG LEU 67 HG LEU 67 -0.452 4.364 -8.135 514 HD11 LEU 67 1HD1 LEU 67 -1.020 4.557 -5.611 515 HD12 LEU 67 2HD1 LEU 67 -0.893 6.311 -5.887 516 HD13 LEU 67 3HD1 LEU 67 -2.075 5.349 -6.806 517 HD21 LEU 67 1HD2 LEU 67 1.136 6.863 -7.851 518 HD22 LEU 67 2HD2 LEU 67 0.445 6.092 -9.299 519 HD23 LEU 67 3HD2 LEU 67 -0.599 7.034 -8.208 520 H LEU 68 H LEU 68 3.678 3.411 -5.758 521 HA LEU 68 HA LEU 68 5.739 5.500 -5.786 522 HB2 LEU 68 1HB LEU 68 4.097 4.399 -3.714 523 HB3 LEU 68 2HB LEU 68 5.772 4.020 -3.367 524 HG LEU 68 HG LEU 68 4.768 6.814 -3.972 525 HD11 LEU 68 1HD1 LEU 68 4.872 5.264 -1.423 526 HD12 LEU 68 2HD1 LEU 68 5.307 6.990 -1.382 527 HD13 LEU 68 3HD1 LEU 68 3.706 6.489 -1.980 528 HD21 LEU 68 1HD2 LEU 68 7.251 6.110 -4.315 529 HD22 LEU 68 2HD2 LEU 68 6.871 7.612 -3.439 530 HD23 LEU 68 3HD2 LEU 68 7.320 6.145 -2.537 531 H ALA 69 H ALA 69 7.547 4.849 -6.821 532 HA ALA 69 HA ALA 69 8.154 2.009 -6.876 533 HB1 ALA 69 1HB ALA 69 10.128 3.525 -8.233 534 HB2 ALA 69 2HB ALA 69 8.793 2.591 -8.950 535 HB3 ALA 69 3HB ALA 69 8.572 4.318 -8.577 536 H SER 70 H SER 70 9.090 5.010 -5.278 537 HA SER 70 HA SER 70 11.331 3.557 -4.104 538 HB2 SER 70 1HB SER 70 12.584 5.330 -4.732 539 HB3 SER 70 2HB SER 70 11.168 6.204 -5.280 540 HG SER 70 HG SER 70 12.491 7.171 -3.459 541 H VAL 71 H VAL 71 10.453 2.697 -2.220 542 HA VAL 71 HA VAL 71 9.131 4.633 -0.448 543 HB VAL 71 HB VAL 71 8.453 1.758 -1.050 544 HG11 VAL 71 1HG1 VAL 71 8.479 1.944 1.367 545 HG12 VAL 71 2HG1 VAL 71 7.525 3.445 1.298 546 HG13 VAL 71 3HG1 VAL 71 6.792 1.902 0.799 547 HG21 VAL 71 1HG2 VAL 71 6.683 2.571 -2.153 548 HG22 VAL 71 2HG2 VAL 71 6.274 3.688 -0.829 549 HG23 VAL 71 3HG2 VAL 71 7.473 4.163 -2.055 550 H ASP 72 H ASP 72 9.545 4.332 1.842 551 HA ASP 72 HA ASP 72 12.205 3.604 2.300 552 HB2 ASP 72 1HB ASP 72 9.963 4.789 3.772 553 HB3 ASP 72 2HB ASP 72 10.846 3.672 4.794 554 HA PRO 73 HA PRO 73 11.457 -0.623 3.259 555 HB2 PRO 73 1HB PRO 73 13.877 -1.280 4.345 556 HB3 PRO 73 2HB PRO 73 13.585 -1.224 2.618 557 HG2 PRO 73 1HG PRO 73 15.049 0.705 4.314 558 HG3 PRO 73 2HG PRO 73 15.104 0.511 2.573 559 HD2 PRO 73 1HD PRO 73 13.718 2.557 4.029 560 HD3 PRO 73 2HD PRO 73 13.679 2.294 2.297 561 H LYS 74 H LYS 74 12.393 1.655 5.661 562 HA LYS 74 HA LYS 74 11.596 -0.191 7.760 563 HB2 LYS 74 1HB LYS 74 12.859 2.560 7.778 564 HB3 LYS 74 2HB LYS 74 12.317 1.750 9.234 565 HG2 LYS 74 1HG LYS 74 13.902 -0.086 7.607 566 HG3 LYS 74 2HG LYS 74 14.798 1.395 7.880 567 HD2 LYS 74 1HD LYS 74 13.547 -0.386 10.021 568 HD3 LYS 74 2HD LYS 74 15.259 -0.190 9.701 569 HE2 LYS 74 1HE LYS 74 14.425 2.447 10.079 570 HE3 LYS 74 2HE LYS 74 13.413 1.572 11.211 571 HZ1 LYS 74 1HZ LYS 74 15.212 0.866 12.376 572 HZ2 LYS 74 2HZ LYS 74 16.244 0.930 11.113 573 HZ3 LYS 74 3HZ LYS 74 15.785 2.306 11.862 574 H ALA 75 H ALA 75 9.727 0.933 5.630 575 HA ALA 75 HA ALA 75 7.894 2.297 7.482 576 HB1 ALA 75 1HB ALA 75 7.412 3.799 5.858 577 HB2 ALA 75 2HB ALA 75 8.921 3.246 5.094 578 HB3 ALA 75 3HB ALA 75 7.362 2.548 4.593 579 H THR 76 H THR 76 5.903 1.365 7.830 580 HA THR 76 HA THR 76 5.333 -1.048 6.236 581 HB THR 76 HB THR 76 4.058 -1.584 8.525 582 HG1 THR 76 1HG THR 76 6.303 0.138 9.277 583 HG21 THR 76 1HG2 THR 76 6.787 -1.845 9.354 584 HG22 THR 76 2HG2 THR 76 5.754 -3.109 8.645 585 HG23 THR 76 3HG2 THR 76 6.770 -2.096 7.592 586 H SER 77 H SER 77 4.488 2.141 6.643 587 HA SER 77 HA SER 77 1.829 1.514 5.679 588 HB2 SER 77 1HB SER 77 1.029 3.572 7.063 589 HB3 SER 77 2HB SER 77 1.240 2.044 7.894 590 HG SER 77 HG SER 77 2.209 3.831 9.058 591 H VAL 78 H VAL 78 0.930 3.211 4.283 592 HA VAL 78 HA VAL 78 2.688 5.441 3.690 593 HB VAL 78 HB VAL 78 3.415 3.470 2.308 594 HG11 VAL 78 1HG1 VAL 78 0.857 3.907 0.751 595 HG12 VAL 78 2HG1 VAL 78 2.073 2.623 0.553 596 HG13 VAL 78 3HG1 VAL 78 1.020 2.638 1.988 597 HG21 VAL 78 1HG2 VAL 78 2.496 5.333 0.242 598 HG22 VAL 78 2HG2 VAL 78 3.185 6.155 1.662 599 HG23 VAL 78 3HG2 VAL 78 4.146 4.943 0.783 600 H THR 79 H THR 79 1.583 7.087 2.341 601 HA THR 79 HA THR 79 -1.343 6.755 2.410 602 HB THR 79 HB THR 79 0.372 9.153 3.241 603 HG1 THR 79 1HG THR 79 -1.681 7.541 4.574 604 HG21 THR 79 1HG2 THR 79 -2.672 8.807 3.148 605 HG22 THR 79 2HG2 THR 79 -1.812 10.183 3.879 606 HG23 THR 79 3HG2 THR 79 -1.735 9.917 2.121 607 H VAL 80 H VAL 80 -2.277 6.916 0.477 608 HA VAL 80 HA VAL 80 -0.673 8.038 -1.678 609 HB VAL 80 HB VAL 80 -3.294 6.530 -1.739 610 HG11 VAL 80 1HG1 VAL 80 -2.424 6.066 -4.139 611 HG12 VAL 80 2HG1 VAL 80 -3.152 7.651 -3.784 612 HG13 VAL 80 3HG1 VAL 80 -1.382 7.484 -3.868 613 HG21 VAL 80 1HG2 VAL 80 -1.376 4.833 -2.747 614 HG22 VAL 80 2HG2 VAL 80 -0.517 5.621 -1.401 615 HG23 VAL 80 3HG2 VAL 80 -2.050 4.769 -1.101 616 H LYS 81 H LYS 81 -1.309 9.824 -2.917 617 HA LYS 81 HA LYS 81 -3.767 11.155 -2.056 618 HB2 LYS 81 1HB LYS 81 -1.096 12.560 -2.346 619 HB3 LYS 81 2HB LYS 81 -2.626 13.301 -1.925 620 HG2 LYS 81 1HG LYS 81 -2.670 12.336 0.222 621 HG3 LYS 81 2HG LYS 81 -1.649 10.990 -0.243 622 HD2 LYS 81 1HD LYS 81 -0.149 13.431 -0.640 623 HD3 LYS 81 2HD LYS 81 -0.864 13.488 0.959 624 HE2 LYS 81 1HE LYS 81 0.433 11.759 1.751 625 HE3 LYS 81 2HE LYS 81 0.309 10.844 0.261 626 HZ1 LYS 81 1HZ LYS 81 1.897 13.291 0.342 627 HZ2 LYS 81 2HZ LYS 81 2.527 11.885 0.881 628 HZ3 LYS 81 3HZ LYS 81 2.033 12.016 -0.670 629 H GLY 82 H GLY 82 -4.712 12.537 -3.684 630 HA2 GLY 82 1HA GLY 82 -4.781 13.461 -5.827 631 HA3 GLY 82 2HA GLY 82 -3.486 12.399 -6.345 632 H LEU 83 H LEU 83 -6.263 11.242 -4.412 633 HA LEU 83 HA LEU 83 -6.914 9.423 -6.563 634 HB2 LEU 83 1HB LEU 83 -7.529 9.649 -3.653 635 HB3 LEU 83 2HB LEU 83 -8.637 8.748 -4.668 636 HG LEU 83 HG LEU 83 -7.249 6.994 -4.865 637 HD11 LEU 83 1HD1 LEU 83 -4.690 7.298 -4.998 638 HD12 LEU 83 2HD1 LEU 83 -5.687 7.837 -6.371 639 HD13 LEU 83 3HD1 LEU 83 -5.055 9.027 -5.207 640 HD21 LEU 83 1HD2 LEU 83 -7.297 7.400 -2.450 641 HD22 LEU 83 2HD2 LEU 83 -5.770 6.637 -2.957 642 HD23 LEU 83 3HD2 LEU 83 -5.814 8.377 -2.581 643 H VAL 84 H VAL 84 -9.568 9.027 -6.516 644 HA VAL 84 HA VAL 84 -10.677 11.692 -7.076 645 HB VAL 84 HB VAL 84 -11.064 9.076 -8.541 646 HG11 VAL 84 1HG1 VAL 84 -12.727 10.049 -9.865 647 HG12 VAL 84 2HG1 VAL 84 -13.133 10.608 -8.224 648 HG13 VAL 84 3HG1 VAL 84 -12.304 11.702 -9.358 649 HG21 VAL 84 1HG2 VAL 84 -9.026 10.843 -8.842 650 HG22 VAL 84 2HG2 VAL 84 -9.684 9.847 -10.162 651 HG23 VAL 84 3HG2 VAL 84 -10.219 11.533 -9.968 652 HA PRO 85 HA PRO 85 -13.731 10.528 -4.239 653 HB2 PRO 85 1HB PRO 85 -15.612 12.440 -4.763 654 HB3 PRO 85 2HB PRO 85 -14.208 12.727 -3.753 655 HG2 PRO 85 1HG PRO 85 -14.713 13.624 -6.524 656 HG3 PRO 85 2HG PRO 85 -13.546 14.235 -5.368 657 HD2 PRO 85 1HD PRO 85 -13.009 12.521 -7.603 658 HD3 PRO 85 2HD PRO 85 -11.866 13.038 -6.381 659 H ALA 86 H ALA 86 -15.442 9.155 -3.973 660 HA ALA 86 HA ALA 86 -17.079 7.805 -4.604 661 HB1 ALA 86 1HB ALA 86 -18.674 9.128 -5.483 662 HB2 ALA 86 2HB ALA 86 -17.462 10.191 -6.237 663 HB3 ALA 86 3HB ALA 86 -18.016 8.729 -7.088 664 H ARG 87 H ARG 87 -14.498 6.979 -5.084 665 HA ARG 87 HA ARG 87 -14.959 5.304 -7.357 666 HB2 ARG 87 1HB ARG 87 -12.774 7.387 -7.236 667 HB3 ARG 87 2HB ARG 87 -12.378 5.842 -7.962 668 HG2 ARG 87 1HG ARG 87 -14.651 6.208 -9.300 669 HG3 ARG 87 2HG ARG 87 -14.419 7.890 -8.864 670 HD2 ARG 87 1HD ARG 87 -12.420 8.086 -10.113 671 HD3 ARG 87 2HD ARG 87 -12.090 6.366 -10.056 672 HE ARG 87 HE ARG 87 -13.354 6.109 -11.999 673 HH11 ARG 87 2HH2 ARG 87 -14.329 9.095 -10.414 674 HH12 ARG 87 1HH2 ARG 87 -15.405 9.569 -11.686 675 HH21 ARG 87 2HH1 ARG 87 -14.773 6.733 -13.677 676 HH22 ARG 87 1HH1 ARG 87 -15.659 8.217 -13.555 677 H SER 88 H SER 88 -13.891 3.268 -7.129 678 HA SER 88 HA SER 88 -12.890 2.804 -4.501 679 HB2 SER 88 1HB SER 88 -13.415 1.018 -6.907 680 HB3 SER 88 2HB SER 88 -12.682 0.398 -5.440 681 HG SER 88 HG SER 88 -14.920 0.068 -5.274 682 H TYR 89 H TYR 89 -10.762 1.913 -4.001 683 HA TYR 89 HA TYR 89 -8.806 1.989 -6.157 684 HB2 TYR 89 1HB TYR 89 -8.949 3.670 -3.592 685 HB3 TYR 89 2HB TYR 89 -7.402 3.360 -4.355 686 HD1 TYR 89 1HD TYR 89 -7.253 3.981 -6.923 687 HD2 TYR 89 2HD TYR 89 -10.169 5.557 -4.217 688 HE1 TYR 89 1HE TYR 89 -7.625 5.966 -8.467 689 HE2 TYR 89 2HE TYR 89 -10.531 7.536 -5.770 690 HH TYR 89 HH TYR 89 -8.439 8.102 -8.485 691 H GLN 90 H GLN 90 -7.324 0.362 -5.956 692 HA GLN 90 HA GLN 90 -7.360 -1.025 -3.393 693 HB2 GLN 90 1HB GLN 90 -7.152 -1.947 -6.242 694 HB3 GLN 90 2HB GLN 90 -6.252 -2.859 -5.047 695 HG2 GLN 90 1HG GLN 90 -8.401 -3.017 -3.670 696 HG3 GLN 90 2HG GLN 90 -9.251 -2.288 -5.019 697 HE21 GLN 90 1HE2 GLN 90 -9.674 -4.871 -3.881 698 HE22 GLN 90 2HE2 GLN 90 -9.386 -6.066 -5.100 699 H PHE 91 H PHE 91 -5.283 -1.928 -2.603 700 HA PHE 91 HA PHE 91 -2.935 -0.687 -3.813 701 HB2 PHE 91 1HB PHE 91 -3.909 -0.589 -0.898 702 HB3 PHE 91 2HB PHE 91 -2.266 -0.176 -1.345 703 HD1 PHE 91 2HD PHE 91 -2.149 1.620 -3.348 704 HD2 PHE 91 1HD PHE 91 -5.394 1.151 -0.654 705 HE1 PHE 91 2HE PHE 91 -2.865 3.983 -3.800 706 HE2 PHE 91 1HE PHE 91 -6.110 3.514 -1.106 707 HZ PHE 91 HZ PHE 91 -4.837 4.902 -2.673 708 H ARG 92 H ARG 92 -1.025 -1.901 -3.599 709 HA ARG 92 HA ARG 92 -0.912 -4.036 -1.764 710 HB2 ARG 92 1HB ARG 92 -0.615 -5.824 -3.586 711 HB3 ARG 92 2HB ARG 92 -2.258 -5.267 -3.341 712 HG2 ARG 92 1HG ARG 92 -2.371 -4.255 -5.404 713 HG3 ARG 92 2HG ARG 92 -0.722 -3.666 -5.324 714 HD2 ARG 92 1HD ARG 92 -0.312 -6.404 -5.510 715 HD3 ARG 92 2HD ARG 92 -1.767 -6.209 -6.467 716 HE ARG 92 HE ARG 92 -0.253 -4.193 -7.472 717 HH11 ARG 92 2HH2 ARG 92 0.580 -7.538 -6.767 718 HH12 ARG 92 1HH2 ARG 92 1.786 -7.633 -8.007 719 HH21 ARG 92 2HH1 ARG 92 1.338 -4.318 -9.109 720 HH22 ARG 92 1HH1 ARG 92 2.220 -5.789 -9.348 721 H LEU 93 H LEU 93 1.213 -3.841 -1.129 722 HA LEU 93 HA LEU 93 3.162 -3.183 -3.227 723 HB2 LEU 93 1HB LEU 93 4.518 -2.233 -1.389 724 HB3 LEU 93 2HB LEU 93 3.021 -1.382 -1.709 725 HG LEU 93 HG LEU 93 3.025 -3.454 0.449 726 HD11 LEU 93 1HD1 LEU 93 4.423 -2.428 1.842 727 HD12 LEU 93 2HD1 LEU 93 5.003 -1.501 0.437 728 HD13 LEU 93 3HD1 LEU 93 3.730 -0.828 1.484 729 HD21 LEU 93 1HD2 LEU 93 1.754 -0.972 1.113 730 HD22 LEU 93 2HD2 LEU 93 1.242 -1.479 -0.515 731 HD23 LEU 93 3HD2 LEU 93 1.032 -2.581 0.867 732 H CYS 94 H CYS 94 5.420 -4.080 -2.750 733 HA CYS 94 HA CYS 94 5.168 -6.688 -1.446 734 HB2 CYS 94 1HB CYS 94 6.711 -7.586 -3.235 735 HB3 CYS 94 2HB CYS 94 5.075 -7.230 -3.754 736 HG CYS 94 HG CYS 94 6.892 -6.549 -5.587 737 H ALA 95 H ALA 95 7.591 -7.584 -1.142 738 HA ALA 95 HA ALA 95 9.085 -5.350 0.014 739 HB1 ALA 95 1HB ALA 95 9.286 -8.353 0.481 740 HB2 ALA 95 2HB ALA 95 10.152 -7.086 1.384 741 HB3 ALA 95 3HB ALA 95 8.380 -7.210 1.501 742 H VAL 96 H VAL 96 10.930 -4.645 -0.940 743 HA VAL 96 HA VAL 96 12.238 -6.502 -2.803 744 HB VAL 96 HB VAL 96 11.902 -3.518 -3.152 745 HG11 VAL 96 1HG1 VAL 96 12.536 -4.719 -5.598 746 HG12 VAL 96 2HG1 VAL 96 13.612 -3.737 -4.575 747 HG13 VAL 96 3HG1 VAL 96 13.605 -5.510 -4.415 748 HG21 VAL 96 1HG2 VAL 96 9.964 -5.494 -3.550 749 HG22 VAL 96 2HG2 VAL 96 9.961 -3.842 -4.212 750 HG23 VAL 96 3HG2 VAL 96 10.630 -5.184 -5.171 751 H ASN 97 H ASN 97 14.369 -6.847 -2.384 752 HA ASN 97 HA ASN 97 15.688 -4.837 -0.746 753 HB2 ASN 97 1HB ASN 97 16.955 -7.048 0.157 754 HB3 ASN 97 2HB ASN 97 15.493 -6.457 0.921 755 HD21 ASN 97 1HD2 ASN 97 15.650 -8.837 1.528 756 HD22 ASN 97 2HD2 ASN 97 14.769 -9.960 0.546 757 H ASP 98 H ASP 98 18.262 -5.799 -0.684 758 HA ASP 98 HA ASP 98 19.245 -5.297 -3.151 759 HB2 ASP 98 1HB ASP 98 20.668 -5.254 -1.185 760 HB3 ASP 98 2HB ASP 98 20.368 -6.947 -0.850 761 H VAL 99 H VAL 99 18.756 -8.515 -1.510 762 HA VAL 99 HA VAL 99 19.703 -10.200 -3.400 763 HB VAL 99 HB VAL 99 18.267 -11.854 -2.468 764 HG11 VAL 99 1HG1 VAL 99 18.348 -10.533 0.067 765 HG12 VAL 99 2HG1 VAL 99 19.458 -11.761 -0.587 766 HG13 VAL 99 3HG1 VAL 99 19.776 -10.033 -0.870 767 HG21 VAL 99 1HG2 VAL 99 16.521 -9.519 -1.684 768 HG22 VAL 99 2HG2 VAL 99 16.092 -10.990 -2.590 769 HG23 VAL 99 3HG2 VAL 99 16.411 -11.084 -0.842 770 H GLY 100 H GLY 100 16.460 -8.601 -3.329 771 HA2 GLY 100 1HA GLY 100 16.168 -8.123 -5.973 772 HA3 GLY 100 2HA GLY 100 15.687 -9.803 -5.838 773 H LYS 101 H LYS 101 13.478 -9.285 -6.391 774 HA LYS 101 HA LYS 101 12.080 -7.694 -4.367 775 HB2 LYS 101 1HB LYS 101 11.719 -6.782 -6.520 776 HB3 LYS 101 2HB LYS 101 11.473 -8.355 -7.249 777 HG2 LYS 101 1HG LYS 101 9.437 -8.594 -5.639 778 HG3 LYS 101 2HG LYS 101 9.616 -6.876 -5.344 779 HD2 LYS 101 1HD LYS 101 9.183 -8.172 -8.077 780 HD3 LYS 101 2HD LYS 101 7.966 -7.315 -7.152 781 HE2 LYS 101 1HE LYS 101 8.691 -5.308 -7.933 782 HE3 LYS 101 2HE LYS 101 10.330 -5.635 -7.405 783 HZ1 LYS 101 1HZ LYS 101 10.602 -6.962 -9.432 784 HZ2 LYS 101 2HZ LYS 101 9.115 -6.509 -9.933 785 HZ3 LYS 101 3HZ LYS 101 10.291 -5.390 -9.748 786 H GLY 102 H GLY 102 10.091 -8.520 -3.442 787 HA2 GLY 102 1HA GLY 102 10.073 -11.473 -3.380 788 HA3 GLY 102 2HA GLY 102 9.589 -10.417 -2.069 789 H GLN 103 H GLN 103 7.529 -11.640 -2.056 790 HA GLN 103 HA GLN 103 5.879 -11.354 -4.371 791 HB2 GLN 103 1HB GLN 103 5.951 -13.027 -2.024 792 HB3 GLN 103 2HB GLN 103 4.381 -12.250 -2.083 793 HG2 GLN 103 1HG GLN 103 3.827 -13.203 -4.170 794 HG3 GLN 103 2HG GLN 103 5.502 -13.443 -4.626 795 HE21 GLN 103 1HE2 GLN 103 3.075 -14.433 -2.230 796 HE22 GLN 103 2HE2 GLN 103 3.591 -16.077 -2.053 797 H PHE 104 H PHE 104 3.455 -10.605 -3.880 798 HA PHE 104 HA PHE 104 3.717 -8.016 -2.535 799 HB2 PHE 104 1HB PHE 104 1.882 -9.181 -4.710 800 HB3 PHE 104 2HB PHE 104 1.606 -7.598 -4.012 801 HD1 PHE 104 1HD PHE 104 4.487 -9.483 -5.480 802 HD2 PHE 104 2HD PHE 104 2.352 -5.823 -5.262 803 HE1 PHE 104 1HE PHE 104 6.052 -8.470 -7.160 804 HE2 PHE 104 2HE PHE 104 3.917 -4.809 -6.943 805 HZ PHE 104 HZ PHE 104 5.749 -6.145 -7.871 806 H SER 105 H SER 105 1.362 -7.202 -1.804 807 HA SER 105 HA SER 105 0.408 -9.333 -0.080 808 HB2 SER 105 1HB SER 105 -0.684 -7.370 1.167 809 HB3 SER 105 2HB SER 105 1.067 -7.442 1.208 810 HG SER 105 HG SER 105 -0.642 -5.592 -0.096 811 H LYS 106 H LYS 106 -1.919 -9.690 0.175 812 HA LYS 106 HA LYS 106 -3.320 -9.730 -2.199 813 HB2 LYS 106 1HB LYS 106 -4.088 -10.029 0.695 814 HB3 LYS 106 2HB LYS 106 -5.326 -10.029 -0.545 815 HG2 LYS 106 1HG LYS 106 -2.917 -11.903 -0.406 816 HG3 LYS 106 2HG LYS 106 -4.584 -12.338 -0.083 817 HD2 LYS 106 1HD LYS 106 -4.685 -11.148 -2.637 818 HD3 LYS 106 2HD LYS 106 -3.194 -12.069 -2.665 819 HE2 LYS 106 1HE LYS 106 -4.579 -14.045 -1.696 820 HE3 LYS 106 2HE LYS 106 -6.003 -13.102 -2.091 821 HZ1 LYS 106 1HZ LYS 106 -4.028 -14.244 -3.897 822 HZ2 LYS 106 2HZ LYS 106 -5.658 -14.312 -3.975 823 HZ3 LYS 106 3HZ LYS 106 -4.878 -12.934 -4.376 824 H ASP 107 H ASP 107 -5.384 -8.586 -2.751 825 HA ASP 107 HA ASP 107 -4.905 -5.837 -2.725 826 HB2 ASP 107 1HB ASP 107 -7.272 -5.754 -3.717 827 HB3 ASP 107 2HB ASP 107 -6.105 -6.730 -4.588 828 H THR 108 H THR 108 -5.261 -4.522 -0.930 829 HA THR 108 HA THR 108 -6.532 -5.246 1.377 830 HB THR 108 HB THR 108 -6.658 -2.701 1.703 831 HG1 THR 108 1HG THR 108 -6.068 -1.495 -0.161 832 HG21 THR 108 1HG2 THR 108 -4.418 -2.726 2.166 833 HG22 THR 108 2HG2 THR 108 -4.349 -4.335 1.408 834 HG23 THR 108 3HG2 THR 108 -4.021 -2.879 0.438 835 H GLU 109 H GLU 109 -8.531 -3.956 2.313 836 HA GLU 109 HA GLU 109 -10.718 -5.026 0.964 837 HB2 GLU 109 1HB GLU 109 -11.322 -4.839 3.150 838 HB3 GLU 109 2HB GLU 109 -10.199 -3.527 3.446 839 HG2 GLU 109 1HG GLU 109 -11.742 -1.868 2.658 840 HG3 GLU 109 2HG GLU 109 -12.750 -3.058 1.860 841 H ARG 110 H ARG 110 -11.995 -4.217 -0.657 842 HA ARG 110 HA ARG 110 -11.376 -2.281 -2.267 843 HB2 ARG 110 1HB ARG 110 -13.645 -3.806 -1.881 844 HB3 ARG 110 2HB ARG 110 -14.291 -2.204 -1.591 845 HG2 ARG 110 1HG ARG 110 -13.052 -1.536 -3.812 846 HG3 ARG 110 2HG ARG 110 -12.955 -3.261 -4.106 847 HD2 ARG 110 1HD ARG 110 -15.489 -3.379 -3.755 848 HD3 ARG 110 2HD ARG 110 -15.503 -1.628 -3.694 849 HE ARG 110 HE ARG 110 -14.104 -2.315 -6.050 850 HH11 ARG 110 2HH2 ARG 110 -17.343 -2.742 -4.740 851 HH12 ARG 110 1HH2 ARG 110 -18.105 -2.776 -6.295 852 HH21 ARG 110 2HH1 ARG 110 -15.110 -2.360 -8.102 853 HH22 ARG 110 1HH1 ARG 110 -16.827 -2.557 -8.220 854 H VAL 111 H VAL 111 -10.462 -0.337 -1.517 855 HA VAL 111 HA VAL 111 -11.893 1.174 0.498 856 HB VAL 111 HB VAL 111 -9.299 1.714 -0.961 857 HG11 VAL 111 1HG1 VAL 111 -9.054 3.087 1.329 858 HG12 VAL 111 2HG1 VAL 111 -9.761 3.795 -0.144 859 HG13 VAL 111 3HG1 VAL 111 -10.822 3.178 1.145 860 HG21 VAL 111 1HG2 VAL 111 -8.855 -0.225 0.252 861 HG22 VAL 111 2HG2 VAL 111 -8.378 1.062 1.386 862 HG23 VAL 111 3HG2 VAL 111 -9.942 0.235 1.585 863 H SER 112 H SER 112 -13.462 2.597 -0.027 864 HA SER 112 HA SER 112 -13.414 3.601 -2.759 865 HB2 SER 112 1HB SER 112 -15.769 3.754 -2.684 866 HB3 SER 112 2HB SER 112 -15.431 2.267 -1.821 867 HG SER 112 HG SER 112 -16.217 4.824 -0.769 868 H LEU 113 H LEU 113 -13.593 5.874 -3.149 869 HA LEU 113 HA LEU 113 -12.839 7.483 -0.852 870 HB2 LEU 113 1HB LEU 113 -12.071 7.391 -3.534 871 HB3 LEU 113 2HB LEU 113 -13.021 8.858 -3.400 872 HG LEU 113 HG LEU 113 -11.335 8.926 -1.167 873 HD11 LEU 113 1HD1 LEU 113 -10.037 7.522 -3.442 874 HD12 LEU 113 2HD1 LEU 113 -9.098 8.802 -2.637 875 HD13 LEU 113 3HD1 LEU 113 -9.721 7.426 -1.694 876 HD21 LEU 113 1HD2 LEU 113 -11.403 11.000 -1.961 877 HD22 LEU 113 2HD2 LEU 113 -10.133 10.523 -3.114 878 HD23 LEU 113 3HD2 LEU 113 -11.846 10.437 -3.591 879 HA PRO 114 HA PRO 114 -16.711 9.352 -0.494 880 HB2 PRO 114 1HB PRO 114 -16.085 11.831 0.470 881 HB3 PRO 114 2HB PRO 114 -16.123 10.394 1.473 882 HG2 PRO 114 1HG PRO 114 -13.780 11.866 0.434 883 HG3 PRO 114 2HG PRO 114 -13.857 10.714 1.753 884 HD2 PRO 114 1HD PRO 114 -12.854 10.232 -0.891 885 HD3 PRO 114 2HD PRO 114 -13.038 9.052 0.392 886 H GLU 115 H GLU 115 -18.311 10.308 -1.658 887 HA GLU 115 HA GLU 115 -17.568 11.174 -4.177 888 HB2 GLU 115 1HB GLU 115 -19.868 10.300 -3.163 889 HB3 GLU 115 2HB GLU 115 -20.194 12.006 -2.938 890 HG2 GLU 115 1HG GLU 115 -20.173 12.464 -5.249 891 HG3 GLU 115 2HG GLU 115 -19.157 11.087 -5.623 892 H SER 116 H SER 116 -18.070 13.376 -5.158 893 HA SER 116 HA SER 116 -17.694 15.482 -3.188 894 HB2 SER 116 1HB SER 116 -15.484 15.162 -4.067 895 HB3 SER 116 2HB SER 116 -16.073 14.984 -5.709 896 HG SER 116 HG SER 116 -16.823 17.422 -4.588 897 H GLY 117 H GLY 117 -19.750 16.397 -3.356 898 HA2 GLY 117 1HA GLY 117 -20.371 17.767 -5.822 899 HA3 GLY 117 2HA GLY 117 -21.470 16.458 -5.438 900 HA PRO 118 HA PRO 118 -22.639 20.234 -3.063 901 HB2 PRO 118 1HB PRO 118 -24.874 21.000 -4.436 902 HB3 PRO 118 2HB PRO 118 -23.296 21.716 -4.698 903 HG2 PRO 118 1HG PRO 118 -24.759 19.783 -6.391 904 HG3 PRO 118 2HG PRO 118 -23.412 20.818 -6.820 905 HD2 PRO 118 1HD PRO 118 -23.310 18.002 -6.284 906 HD3 PRO 118 2HD PRO 118 -21.948 19.059 -6.599 907 H SER 119 H SER 119 -24.234 20.462 -1.439 908 HA SER 119 HA SER 119 -25.840 18.029 -1.341 909 HB2 SER 119 1HB SER 119 -24.086 18.216 0.432 910 HB3 SER 119 2HB SER 119 -24.794 19.726 0.969 911 HG SER 119 HG SER 119 -26.005 18.500 2.237 912 H SER 120 H SER 120 -27.744 18.819 -2.335 913 HA SER 120 HA SER 120 -28.759 21.361 -1.582 914 HB2 SER 120 1HB SER 120 -30.652 20.765 -3.080 915 HB3 SER 120 2HB SER 120 -29.102 20.514 -3.857 916 HG SER 120 HG SER 120 -31.087 18.713 -3.453 917 H GLY 121 H GLY 121 -29.454 21.516 0.550 918 HA2 GLY 121 1HA GLY 121 -31.593 19.659 1.353 919 HA3 GLY 121 2HA GLY 121 -30.213 19.901 2.407 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -4.240 -23.419 -1.200 2 HA2 GLY 1 1HA GLY 1 -1.984 -24.128 -2.468 3 HA3 GLY 1 2HA GLY 1 -1.993 -23.246 -0.954 4 H SER 2 H SER 2 0.147 -24.962 -1.651 5 HA SER 2 HA SER 2 0.385 -26.442 0.637 6 HB2 SER 2 1HB SER 2 -1.328 -27.817 -0.994 7 HB3 SER 2 2HB SER 2 0.200 -28.469 -1.553 8 HG SER 2 HG SER 2 0.706 -28.974 0.717 9 H SER 3 H SER 3 2.471 -25.509 0.610 10 HA SER 3 HA SER 3 4.245 -26.731 -1.327 11 HB2 SER 3 1HB SER 3 3.542 -23.900 -1.227 12 HB3 SER 3 2HB SER 3 5.254 -24.106 -0.912 13 HG SER 3 HG SER 3 3.744 -24.826 -3.243 14 H GLY 4 H GLY 4 6.233 -27.341 -0.418 15 HA2 GLY 4 1HA GLY 4 6.510 -26.817 2.462 16 HA3 GLY 4 2HA GLY 4 7.223 -28.140 1.561 17 H SER 5 H SER 5 9.049 -26.997 3.060 18 HA SER 5 HA SER 5 10.488 -25.299 1.187 19 HB2 SER 5 1HB SER 5 9.606 -23.839 2.964 20 HB3 SER 5 2HB SER 5 10.269 -24.888 4.201 21 HG SER 5 HG SER 5 11.666 -23.082 3.854 22 H SER 6 H SER 6 12.674 -25.857 0.937 23 HA SER 6 HA SER 6 13.792 -27.660 2.897 24 HB2 SER 6 1HB SER 6 12.776 -28.579 0.404 25 HB3 SER 6 2HB SER 6 14.519 -28.562 0.220 26 HG SER 6 HG SER 6 12.896 -30.189 1.840 27 H GLY 7 H GLY 7 15.800 -26.880 3.427 28 HA2 GLY 7 1HA GLY 7 17.244 -25.334 1.355 29 HA3 GLY 7 2HA GLY 7 17.196 -24.882 3.048 30 H ARG 8 H ARG 8 19.685 -25.166 2.021 31 HA ARG 8 HA ARG 8 20.473 -27.801 2.982 32 HB2 ARG 8 1HB ARG 8 21.018 -26.537 0.465 33 HB3 ARG 8 2HB ARG 8 22.532 -26.540 1.347 34 HG2 ARG 8 1HG ARG 8 22.794 -28.776 1.041 35 HG3 ARG 8 2HG ARG 8 21.200 -29.111 1.688 36 HD2 ARG 8 1HD ARG 8 21.162 -27.917 -1.038 37 HD3 ARG 8 2HD ARG 8 21.950 -29.481 -0.961 38 HE ARG 8 HE ARG 8 19.116 -28.981 -0.687 39 HH11 ARG 8 2HH2 ARG 8 21.689 -31.077 0.483 40 HH12 ARG 8 1HH2 ARG 8 20.625 -32.395 0.847 41 HH21 ARG 8 2HH1 ARG 8 17.712 -30.718 -0.206 42 HH22 ARG 8 1HH1 ARG 8 18.347 -32.189 0.452 43 H SER 9 H SER 9 22.871 -27.772 3.824 44 HA SER 9 HA SER 9 23.046 -25.513 5.593 45 HB2 SER 9 1HB SER 9 24.250 -28.268 5.471 46 HB3 SER 9 2HB SER 9 25.122 -27.041 6.367 47 HG SER 9 HG SER 9 23.055 -28.483 7.228 48 H ALA 10 H ALA 10 24.608 -23.896 5.460 49 HA ALA 10 HA ALA 10 26.942 -24.337 3.808 50 HB1 ALA 10 1HB ALA 10 26.508 -22.450 2.344 51 HB2 ALA 10 2HB ALA 10 25.131 -23.573 2.241 52 HB3 ALA 10 3HB ALA 10 24.992 -22.080 3.200 53 H HIS 11 H HIS 11 28.536 -22.542 4.093 54 HA HIS 11 HA HIS 11 28.416 -21.648 6.816 55 HB2 HIS 11 1HB HIS 11 30.494 -22.528 6.107 56 HB3 HIS 11 2HB HIS 11 30.507 -21.567 4.642 57 HD1 HIS 11 1HD HIS 11 32.336 -19.886 4.831 58 HD2 HIS 11 2HD HIS 11 30.267 -20.366 8.448 59 HE1 HIS 11 1HE HIS 11 33.360 -18.218 6.468 60 H LEU 12 H LEU 12 28.912 -20.050 3.583 61 HA LEU 12 HA LEU 12 28.567 -17.463 4.625 62 HB2 LEU 12 1HB LEU 12 28.845 -18.743 1.980 63 HB3 LEU 12 2HB LEU 12 27.990 -17.214 1.984 64 HG LEU 12 HG LEU 12 30.464 -17.093 1.538 65 HD11 LEU 12 1HD1 LEU 12 30.735 -15.230 3.437 66 HD12 LEU 12 2HD1 LEU 12 29.699 -15.011 2.006 67 HD13 LEU 12 3HD1 LEU 12 28.980 -15.497 3.560 68 HD21 LEU 12 1HD2 LEU 12 30.523 -18.324 4.230 69 HD22 LEU 12 2HD2 LEU 12 31.680 -18.435 2.882 70 HD23 LEU 12 3HD2 LEU 12 31.686 -17.007 3.945 71 H ARG 13 H ARG 13 26.773 -16.076 4.680 72 HA ARG 13 HA ARG 13 24.378 -17.273 5.241 73 HB2 ARG 13 1HB ARG 13 24.992 -14.407 4.367 74 HB3 ARG 13 2HB ARG 13 23.442 -14.902 5.017 75 HG2 ARG 13 1HG ARG 13 24.390 -14.298 7.021 76 HG3 ARG 13 2HG ARG 13 25.059 -15.917 6.961 77 HD2 ARG 13 1HD ARG 13 27.190 -15.140 6.689 78 HD3 ARG 13 2HD ARG 13 26.709 -14.018 5.432 79 HE ARG 13 HE ARG 13 26.455 -12.317 7.047 80 HH11 ARG 13 2HH2 ARG 13 26.877 -15.433 8.628 81 HH12 ARG 13 1HH2 ARG 13 27.096 -14.747 10.204 82 HH21 ARG 13 2HH1 ARG 13 26.745 -11.412 9.125 83 HH22 ARG 13 1HH1 ARG 13 27.021 -12.445 10.488 84 H VAL 14 H VAL 14 22.248 -17.050 4.071 85 HA VAL 14 HA VAL 14 22.687 -17.267 1.180 86 HB VAL 14 HB VAL 14 21.750 -19.175 2.647 87 HG11 VAL 14 1HG1 VAL 14 20.105 -17.674 3.826 88 HG12 VAL 14 2HG1 VAL 14 19.186 -17.591 2.303 89 HG13 VAL 14 3HG1 VAL 14 19.402 -19.153 3.129 90 HG21 VAL 14 1HG2 VAL 14 20.169 -18.331 0.197 91 HG22 VAL 14 2HG2 VAL 14 21.778 -19.090 0.151 92 HG23 VAL 14 3HG2 VAL 14 20.391 -19.983 0.820 93 H ARG 15 H ARG 15 21.622 -15.911 -0.238 94 HA ARG 15 HA ARG 15 20.314 -13.690 1.031 95 HB2 ARG 15 1HB ARG 15 21.758 -14.186 -1.502 96 HB3 ARG 15 2HB ARG 15 20.300 -13.244 -1.750 97 HG2 ARG 15 1HG ARG 15 21.178 -11.864 0.352 98 HG3 ARG 15 2HG ARG 15 22.726 -12.571 -0.067 99 HD2 ARG 15 1HD ARG 15 21.003 -11.138 -2.135 100 HD3 ARG 15 2HD ARG 15 22.152 -10.275 -1.132 101 HE ARG 15 HE ARG 15 23.485 -12.522 -2.303 102 HH11 ARG 15 2HH2 ARG 15 22.112 -9.417 -3.226 103 HH12 ARG 15 1HH2 ARG 15 23.172 -9.206 -4.580 104 HH21 ARG 15 2HH1 ARG 15 24.884 -12.245 -4.088 105 HH22 ARG 15 1HH1 ARG 15 24.759 -10.826 -5.074 106 H GLN 16 H GLN 16 18.206 -14.415 1.579 107 HA GLN 16 HA GLN 16 16.693 -15.714 -0.509 108 HB2 GLN 16 1HB GLN 16 16.662 -15.686 2.408 109 HB3 GLN 16 2HB GLN 16 15.063 -15.331 1.785 110 HG2 GLN 16 1HG GLN 16 15.342 -17.766 2.048 111 HG3 GLN 16 2HG GLN 16 15.150 -17.367 0.352 112 HE21 GLN 16 1HE2 GLN 16 16.796 -19.241 2.408 113 HE22 GLN 16 2HE2 GLN 16 18.288 -19.485 1.562 114 H LEU 17 H LEU 17 14.317 -14.956 -0.784 115 HA LEU 17 HA LEU 17 14.409 -12.072 -1.146 116 HB2 LEU 17 1HB LEU 17 12.829 -14.330 -2.308 117 HB3 LEU 17 2HB LEU 17 12.166 -12.708 -2.358 118 HG LEU 17 HG LEU 17 14.766 -13.652 -3.590 119 HD11 LEU 17 1HD1 LEU 17 12.922 -14.342 -4.920 120 HD12 LEU 17 2HD1 LEU 17 12.122 -12.760 -4.758 121 HD13 LEU 17 3HD1 LEU 17 13.621 -12.907 -5.706 122 HD21 LEU 17 1HD2 LEU 17 15.274 -11.483 -2.846 123 HD22 LEU 17 2HD2 LEU 17 14.808 -11.288 -4.553 124 HD23 LEU 17 3HD2 LEU 17 13.658 -10.864 -3.262 125 HA PRO 18 HA PRO 18 11.784 -11.397 2.220 126 HB2 PRO 18 1HB PRO 18 10.933 -8.860 1.664 127 HB3 PRO 18 2HB PRO 18 12.482 -9.210 2.407 128 HG2 PRO 18 1HG PRO 18 11.902 -8.392 -0.374 129 HG3 PRO 18 2HG PRO 18 13.424 -8.334 0.493 130 HD2 PRO 18 1HD PRO 18 12.651 -10.257 -1.490 131 HD3 PRO 18 2HD PRO 18 14.123 -10.265 -0.540 132 H HIS 19 H HIS 19 9.851 -12.159 2.805 133 HA HIS 19 HA HIS 19 8.041 -12.760 0.750 134 HB2 HIS 19 1HB HIS 19 8.345 -13.254 3.585 135 HB3 HIS 19 2HB HIS 19 6.681 -12.842 3.221 136 HD1 HIS 19 1HD HIS 19 5.241 -14.699 2.336 137 HD2 HIS 19 2HD HIS 19 9.333 -15.498 1.879 138 HE1 HIS 19 1HE HIS 19 5.409 -17.087 1.453 139 H ALA 20 H ALA 20 5.665 -12.037 0.798 140 HA ALA 20 HA ALA 20 5.600 -9.251 0.436 141 HB1 ALA 20 1HB ALA 20 2.991 -9.933 0.511 142 HB2 ALA 20 2HB ALA 20 4.039 -10.299 -0.880 143 HB3 ALA 20 3HB ALA 20 3.700 -11.556 0.334 144 HA PRO 21 HA PRO 21 4.413 -7.821 4.341 145 HB2 PRO 21 1HB PRO 21 2.629 -5.820 3.809 146 HB3 PRO 21 2HB PRO 21 4.363 -5.625 3.652 147 HG2 PRO 21 1HG PRO 21 2.333 -5.943 1.526 148 HG3 PRO 21 2HG PRO 21 3.971 -5.332 1.398 149 HD2 PRO 21 1HD PRO 21 3.041 -7.929 0.610 150 HD3 PRO 21 2HD PRO 21 4.698 -7.358 0.590 151 H GLU 22 H GLU 22 3.014 -7.939 6.126 152 HA GLU 22 HA GLU 22 0.713 -9.567 5.419 153 HB2 GLU 22 1HB GLU 22 2.602 -9.487 7.703 154 HB3 GLU 22 2HB GLU 22 0.926 -9.672 8.183 155 HG2 GLU 22 1HG GLU 22 1.861 -11.371 5.888 156 HG3 GLU 22 2HG GLU 22 2.496 -11.774 7.471 157 H HIS 23 H HIS 23 -1.106 -9.258 7.339 158 HA HIS 23 HA HIS 23 -2.857 -7.913 7.674 159 HB2 HIS 23 1HB HIS 23 -0.731 -7.458 9.466 160 HB3 HIS 23 2HB HIS 23 -1.401 -5.874 9.130 161 HD1 HIS 23 1HD HIS 23 -4.093 -5.640 9.559 162 HD2 HIS 23 2HD HIS 23 -2.190 -8.977 11.243 163 HE1 HIS 23 1HE HIS 23 -5.675 -6.538 11.348 164 HA PRO 24 HA PRO 24 -1.694 -4.780 4.526 165 HB2 PRO 24 1HB PRO 24 -2.906 -5.859 2.327 166 HB3 PRO 24 2HB PRO 24 -1.202 -6.064 2.680 167 HG2 PRO 24 1HG PRO 24 -3.404 -8.013 2.979 168 HG3 PRO 24 2HG PRO 24 -1.678 -8.309 2.914 169 HD2 PRO 24 1HD PRO 24 -3.335 -8.327 5.255 170 HD3 PRO 24 2HD PRO 24 -1.593 -8.508 5.202 171 H VAL 25 H VAL 25 -3.051 -3.605 6.049 172 HA VAL 25 HA VAL 25 -5.849 -3.651 5.210 173 HB VAL 25 HB VAL 25 -4.671 -2.141 7.532 174 HG11 VAL 25 1HG1 VAL 25 -7.410 -3.393 7.155 175 HG12 VAL 25 2HG1 VAL 25 -6.890 -2.297 8.457 176 HG13 VAL 25 3HG1 VAL 25 -7.022 -1.695 6.787 177 HG21 VAL 25 1HG2 VAL 25 -5.263 -5.090 7.317 178 HG22 VAL 25 2HG2 VAL 25 -3.859 -4.269 8.041 179 HG23 VAL 25 3HG2 VAL 25 -5.435 -4.235 8.869 180 H ALA 26 H ALA 26 -6.941 -1.723 4.553 181 HA ALA 26 HA ALA 26 -5.241 0.596 4.073 182 HB1 ALA 26 1HB ALA 26 -5.107 -0.811 2.034 183 HB2 ALA 26 2HB ALA 26 -6.883 -0.794 1.917 184 HB3 ALA 26 3HB ALA 26 -5.964 0.718 1.727 185 H THR 27 H THR 27 -6.294 2.402 4.737 186 HA THR 27 HA THR 27 -9.189 2.511 4.450 187 HB THR 27 HB THR 27 -8.929 3.446 7.016 188 HG1 THR 27 1HG THR 27 -6.759 2.808 7.296 189 HG21 THR 27 1HG2 THR 27 -9.067 0.442 6.503 190 HG22 THR 27 2HG2 THR 27 -9.878 1.376 7.783 191 HG23 THR 27 3HG2 THR 27 -10.428 1.514 6.096 192 H LEU 28 H LEU 28 -10.000 4.572 4.162 193 HA LEU 28 HA LEU 28 -8.370 6.439 3.037 194 HB2 LEU 28 1HB LEU 28 -11.090 6.168 3.721 195 HB3 LEU 28 2HB LEU 28 -10.580 7.713 4.372 196 HG LEU 28 HG LEU 28 -9.500 7.787 1.840 197 HD11 LEU 28 1HD1 LEU 28 -12.227 6.495 1.571 198 HD12 LEU 28 2HD1 LEU 28 -11.157 7.046 0.260 199 HD13 LEU 28 3HD1 LEU 28 -10.677 5.670 1.281 200 HD21 LEU 28 1HD2 LEU 28 -11.817 9.088 1.426 201 HD22 LEU 28 2HD2 LEU 28 -11.870 8.943 3.199 202 HD23 LEU 28 3HD2 LEU 28 -10.486 9.739 2.413 203 H SER 29 H SER 29 -8.150 8.828 3.950 204 HA SER 29 HA SER 29 -6.796 8.476 6.494 205 HB2 SER 29 1HB SER 29 -5.699 9.431 4.294 206 HB3 SER 29 2HB SER 29 -6.534 10.913 4.713 207 HG SER 29 HG SER 29 -5.247 11.220 6.451 208 H THR 30 H THR 30 -9.607 9.849 4.995 209 HA THR 30 HA THR 30 -11.117 11.380 5.630 210 HB THR 30 HB THR 30 -11.907 10.963 7.986 211 HG1 THR 30 1HG THR 30 -10.458 9.792 9.327 212 HG21 THR 30 1HG2 THR 30 -11.799 8.342 7.877 213 HG22 THR 30 2HG2 THR 30 -12.655 9.187 6.565 214 HG23 THR 30 3HG2 THR 30 -10.999 8.588 6.306 215 H VAL 31 H VAL 31 -8.240 12.279 5.579 216 HA VAL 31 HA VAL 31 -8.734 14.714 7.102 217 HB VAL 31 HB VAL 31 -6.801 12.681 7.775 218 HG11 VAL 31 1HG1 VAL 31 -4.894 14.364 8.126 219 HG12 VAL 31 2HG1 VAL 31 -5.144 13.743 6.477 220 HG13 VAL 31 3HG1 VAL 31 -5.720 15.370 6.912 221 HG21 VAL 31 1HG2 VAL 31 -6.525 14.123 9.787 222 HG22 VAL 31 2HG2 VAL 31 -7.549 15.353 9.008 223 HG23 VAL 31 3HG2 VAL 31 -8.226 13.757 9.411 224 H GLU 32 H GLU 32 -6.331 13.027 4.952 225 HA GLU 32 HA GLU 32 -5.811 15.507 3.641 226 HB2 GLU 32 1HB GLU 32 -4.609 12.829 3.774 227 HB3 GLU 32 2HB GLU 32 -4.626 13.449 2.135 228 HG2 GLU 32 1HG GLU 32 -3.690 15.199 4.437 229 HG3 GLU 32 2HG GLU 32 -2.598 14.047 3.694 230 H ARG 33 H ARG 33 -6.476 16.142 1.562 231 HA ARG 33 HA ARG 33 -8.902 15.227 0.711 232 HB2 ARG 33 1HB ARG 33 -6.687 16.722 -0.768 233 HB3 ARG 33 2HB ARG 33 -8.266 16.451 -1.480 234 HG2 ARG 33 1HG ARG 33 -8.306 17.570 1.290 235 HG3 ARG 33 2HG ARG 33 -7.625 18.631 0.073 236 HD2 ARG 33 1HD ARG 33 -9.737 18.098 -1.349 237 HD3 ARG 33 2HD ARG 33 -10.410 17.395 0.108 238 HE ARG 33 HE ARG 33 -9.488 19.913 0.906 239 HH11 ARG 33 2HH2 ARG 33 -11.756 18.710 -1.501 240 HH12 ARG 33 1HH2 ARG 33 -12.751 20.127 -1.457 241 HH21 ARG 33 2HH1 ARG 33 -10.801 21.782 0.964 242 HH22 ARG 33 1HH1 ARG 33 -12.204 21.886 -0.045 243 H ARG 34 H ARG 34 -9.571 13.532 -0.609 244 HA ARG 34 HA ARG 34 -9.361 11.538 -1.500 245 HB2 ARG 34 1HB ARG 34 -7.914 13.436 -3.367 246 HB3 ARG 34 2HB ARG 34 -7.978 11.736 -3.788 247 HG2 ARG 34 1HG ARG 34 -10.091 11.997 -4.558 248 HG3 ARG 34 2HG ARG 34 -10.623 12.472 -2.957 249 HD2 ARG 34 1HD ARG 34 -11.190 14.371 -4.225 250 HD3 ARG 34 2HD ARG 34 -9.629 14.837 -3.579 251 HE ARG 34 HE ARG 34 -9.033 13.537 -5.984 252 HH11 ARG 34 2HH2 ARG 34 -10.980 16.312 -5.038 253 HH12 ARG 34 1HH2 ARG 34 -10.770 17.136 -6.547 254 HH21 ARG 34 2HH1 ARG 34 -8.755 14.624 -7.975 255 HH22 ARG 34 1HH1 ARG 34 -9.496 16.169 -8.229 256 H ALA 35 H ALA 35 -7.761 11.243 0.581 257 HA ALA 35 HA ALA 35 -5.329 10.029 -0.524 258 HB1 ALA 35 1HB ALA 35 -5.527 11.561 2.099 259 HB2 ALA 35 2HB ALA 35 -4.066 10.830 1.393 260 HB3 ALA 35 3HB ALA 35 -4.840 12.220 0.595 261 H ILE 36 H ILE 36 -4.785 8.012 0.358 262 HA ILE 36 HA ILE 36 -6.743 6.982 2.292 263 HB ILE 36 HB ILE 36 -5.485 5.698 -0.120 264 HG12 ILE 36 1HG1 ILE 36 -8.377 5.926 0.761 265 HG13 ILE 36 2HG1 ILE 36 -7.597 7.005 -0.378 266 HG21 ILE 36 1HG2 ILE 36 -5.257 3.833 1.100 267 HG22 ILE 36 2HG2 ILE 36 -6.282 4.447 2.420 268 HG23 ILE 36 3HG2 ILE 36 -7.030 3.726 0.975 269 HD11 ILE 36 1HD1 ILE 36 -6.966 4.876 -1.724 270 HD12 ILE 36 2HD1 ILE 36 -8.146 4.032 -0.693 271 HD13 ILE 36 3HD1 ILE 36 -8.676 5.372 -1.739 272 H ASN 37 H ASN 37 -5.960 5.657 3.988 273 HA ASN 37 HA ASN 37 -3.110 6.023 4.395 274 HB2 ASN 37 1HB ASN 37 -5.436 6.230 6.097 275 HB3 ASN 37 2HB ASN 37 -4.466 4.903 6.707 276 HD21 ASN 37 1HD2 ASN 37 -5.057 7.875 7.387 277 HD22 ASN 37 2HD2 ASN 37 -3.510 8.528 7.811 278 H LEU 38 H LEU 38 -1.873 4.203 3.911 279 HA LEU 38 HA LEU 38 -3.201 1.601 4.050 280 HB2 LEU 38 1HB LEU 38 -1.997 2.573 1.963 281 HB3 LEU 38 2HB LEU 38 -0.523 2.134 2.804 282 HG LEU 38 HG LEU 38 -1.853 -0.208 3.013 283 HD11 LEU 38 1HD1 LEU 38 -3.805 0.689 1.768 284 HD12 LEU 38 2HD1 LEU 38 -2.759 0.902 0.344 285 HD13 LEU 38 3HD1 LEU 38 -3.057 -0.728 0.993 286 HD21 LEU 38 1HD2 LEU 38 0.297 0.861 1.464 287 HD22 LEU 38 2HD2 LEU 38 0.030 -0.811 2.012 288 HD23 LEU 38 3HD2 LEU 38 -0.629 -0.271 0.449 289 H THR 39 H THR 39 -2.293 -0.142 5.233 290 HA THR 39 HA THR 39 0.064 0.391 6.833 291 HB THR 39 HB THR 39 -1.137 0.046 8.967 292 HG1 THR 39 1HG THR 39 -3.533 -0.133 8.723 293 HG21 THR 39 1HG2 THR 39 -1.166 2.414 8.009 294 HG22 THR 39 2HG2 THR 39 -2.746 2.034 7.283 295 HG23 THR 39 3HG2 THR 39 -2.559 2.041 9.053 296 H TRP 40 H TRP 40 1.302 -1.373 6.837 297 HA TRP 40 HA TRP 40 -0.071 -3.959 6.680 298 HB2 TRP 40 1HB TRP 40 1.557 -4.763 5.074 299 HB3 TRP 40 2HB TRP 40 0.628 -3.425 4.428 300 HD1 TRP 40 HD TRP 40 4.212 -4.363 5.381 301 HE1 TRP 40 1HE TRP 40 5.943 -2.542 4.574 302 HE3 TRP 40 3HE TRP 40 0.739 -0.911 4.008 303 HZ2 TRP 40 2HZ TRP 40 5.672 0.078 3.476 304 HZ3 TRP 40 3HZ TRP 40 1.557 1.252 3.077 305 HH2 TRP 40 HH TRP 40 3.929 1.772 2.803 306 H THR 41 H THR 41 1.764 -5.741 7.147 307 HA THR 41 HA THR 41 3.196 -4.752 9.514 308 HB THR 41 HB THR 41 1.960 -7.400 8.667 309 HG1 THR 41 1HG THR 41 2.041 -5.666 11.036 310 HG21 THR 41 1HG2 THR 41 4.218 -7.970 9.583 311 HG22 THR 41 2HG2 THR 41 3.911 -6.912 10.980 312 HG23 THR 41 3HG2 THR 41 2.937 -8.384 10.748 313 H LYS 42 H LYS 42 5.354 -5.572 9.972 314 HA LYS 42 HA LYS 42 6.919 -5.525 7.567 315 HB2 LYS 42 1HB LYS 42 7.410 -4.355 9.815 316 HB3 LYS 42 2HB LYS 42 7.951 -5.924 10.376 317 HG2 LYS 42 1HG LYS 42 9.025 -5.147 7.709 318 HG3 LYS 42 2HG LYS 42 9.532 -4.100 9.019 319 HD2 LYS 42 1HD LYS 42 10.404 -6.015 10.292 320 HD3 LYS 42 2HD LYS 42 9.752 -7.144 9.121 321 HE2 LYS 42 1HE LYS 42 11.486 -5.090 7.880 322 HE3 LYS 42 2HE LYS 42 12.328 -6.051 9.079 323 HZ1 LYS 42 1HZ LYS 42 11.041 -7.941 7.796 324 HZ2 LYS 42 2HZ LYS 42 11.185 -6.873 6.569 325 HZ3 LYS 42 3HZ LYS 42 12.519 -7.420 7.336 326 HA PRO 43 HA PRO 43 6.857 -9.898 7.353 327 HB2 PRO 43 1HB PRO 43 7.946 -10.113 4.856 328 HB3 PRO 43 2HB PRO 43 6.231 -9.894 5.137 329 HG2 PRO 43 1HG PRO 43 8.219 -7.924 4.187 330 HG3 PRO 43 2HG PRO 43 6.472 -7.863 4.072 331 HD2 PRO 43 1HD PRO 43 8.122 -6.413 5.916 332 HD3 PRO 43 2HD PRO 43 6.371 -6.441 5.876 333 H PHE 44 H PHE 44 8.497 -11.702 6.722 334 HA PHE 44 HA PHE 44 10.834 -11.004 8.257 335 HB2 PHE 44 1HB PHE 44 9.667 -13.156 8.618 336 HB3 PHE 44 2HB PHE 44 9.693 -13.513 6.902 337 HD1 PHE 44 1HD PHE 44 12.051 -13.775 5.822 338 HD2 PHE 44 2HD PHE 44 11.321 -14.029 9.995 339 HE1 PHE 44 1HE PHE 44 14.194 -15.048 6.120 340 HE2 PHE 44 2HE PHE 44 13.464 -15.302 10.293 341 HZ PHE 44 HZ PHE 44 14.875 -15.796 8.351 342 H ASP 45 H ASP 45 12.842 -10.550 7.452 343 HA ASP 45 HA ASP 45 13.081 -10.312 4.642 344 HB2 ASP 45 1HB ASP 45 15.254 -9.344 5.118 345 HB3 ASP 45 2HB ASP 45 14.127 -8.743 6.318 346 H GLY 46 H GLY 46 14.206 -11.730 3.234 347 HA2 GLY 46 1HA GLY 46 14.545 -14.379 3.801 348 HA3 GLY 46 2HA GLY 46 15.393 -13.513 2.536 349 H ASN 47 H ASN 47 16.810 -11.656 4.389 350 HA ASN 47 HA ASN 47 18.145 -12.846 6.396 351 HB2 ASN 47 1HB ASN 47 18.995 -13.937 3.813 352 HB3 ASN 47 2HB ASN 47 20.334 -13.095 4.568 353 HD21 ASN 47 1HD2 ASN 47 20.484 -15.758 4.187 354 HD22 ASN 47 2HD2 ASN 47 20.393 -16.627 5.683 355 H SER 48 H SER 48 18.266 -10.893 3.402 356 HA SER 48 HA SER 48 20.245 -9.145 4.569 357 HB2 SER 48 1HB SER 48 19.657 -9.956 1.939 358 HB3 SER 48 2HB SER 48 19.099 -8.296 1.998 359 HG SER 48 HG SER 48 21.244 -8.107 1.466 360 HA PRO 49 HA PRO 49 17.324 -6.102 5.640 361 HB2 PRO 49 1HB PRO 49 18.659 -3.753 5.230 362 HB3 PRO 49 2HB PRO 49 18.914 -4.768 6.636 363 HG2 PRO 49 1HG PRO 49 20.646 -4.413 4.267 364 HG3 PRO 49 2HG PRO 49 21.058 -5.067 5.840 365 HD2 PRO 49 1HD PRO 49 20.600 -6.554 3.431 366 HD3 PRO 49 2HD PRO 49 20.897 -7.211 5.028 367 H LEU 50 H LEU 50 15.429 -5.497 4.813 368 HA LEU 50 HA LEU 50 14.895 -5.548 2.185 369 HB2 LEU 50 1HB LEU 50 13.677 -3.697 4.239 370 HB3 LEU 50 2HB LEU 50 12.972 -4.084 2.682 371 HG LEU 50 HG LEU 50 13.541 -6.120 4.854 372 HD11 LEU 50 1HD1 LEU 50 10.834 -6.002 4.691 373 HD12 LEU 50 2HD1 LEU 50 11.812 -5.124 5.891 374 HD13 LEU 50 3HD1 LEU 50 11.260 -4.296 4.415 375 HD21 LEU 50 1HD2 LEU 50 12.581 -6.303 2.065 376 HD22 LEU 50 2HD2 LEU 50 13.396 -7.508 3.090 377 HD23 LEU 50 3HD2 LEU 50 11.647 -7.230 3.263 378 H ILE 51 H ILE 51 14.418 -3.786 0.582 379 HA ILE 51 HA ILE 51 16.443 -1.671 0.842 380 HB ILE 51 HB ILE 51 15.582 -3.334 -1.508 381 HG12 ILE 51 1HG1 ILE 51 17.446 -4.101 -0.027 382 HG13 ILE 51 2HG1 ILE 51 17.895 -3.868 -1.705 383 HG21 ILE 51 1HG2 ILE 51 15.450 -1.169 -2.425 384 HG22 ILE 51 2HG2 ILE 51 16.885 -0.610 -1.533 385 HG23 ILE 51 3HG2 ILE 51 17.064 -1.775 -2.867 386 HD11 ILE 51 1HD1 ILE 51 19.618 -2.903 -0.238 387 HD12 ILE 51 2HD1 ILE 51 18.804 -1.601 -1.138 388 HD13 ILE 51 3HD1 ILE 51 18.395 -1.892 0.570 389 H ARG 52 H ARG 52 13.367 -2.487 -0.923 390 HA ARG 52 HA ARG 52 12.217 -0.091 0.081 391 HB2 ARG 52 1HB ARG 52 11.894 1.071 -1.999 392 HB3 ARG 52 2HB ARG 52 13.586 0.615 -1.988 393 HG2 ARG 52 1HG ARG 52 13.023 -1.421 -3.360 394 HG3 ARG 52 2HG ARG 52 11.348 -0.910 -3.405 395 HD2 ARG 52 1HD ARG 52 12.182 -0.049 -5.436 396 HD3 ARG 52 2HD ARG 52 12.281 1.346 -4.380 397 HE ARG 52 HE ARG 52 14.738 0.007 -4.082 398 HH11 ARG 52 2HH2 ARG 52 12.949 1.521 -6.707 399 HH12 ARG 52 1HH2 ARG 52 14.370 1.954 -7.597 400 HH21 ARG 52 2HH1 ARG 52 16.614 0.579 -5.256 401 HH22 ARG 52 1HH1 ARG 52 16.469 1.415 -6.766 402 H TYR 53 H TYR 53 9.942 0.172 -1.396 403 HA TYR 53 HA TYR 53 8.914 -2.533 -1.847 404 HB2 TYR 53 1HB TYR 53 7.981 -0.273 0.001 405 HB3 TYR 53 2HB TYR 53 6.808 -1.423 -0.610 406 HD1 TYR 53 2HD TYR 53 10.140 -1.384 1.123 407 HD2 TYR 53 1HD TYR 53 6.349 -3.314 0.662 408 HE1 TYR 53 2HE TYR 53 10.717 -2.985 3.012 409 HE2 TYR 53 1HE TYR 53 6.939 -4.908 2.553 410 HH TYR 53 HH TYR 53 8.780 -5.764 3.674 411 H ILE 54 H ILE 54 7.442 -2.693 -3.530 412 HA ILE 54 HA ILE 54 6.956 -0.181 -4.955 413 HB ILE 54 HB ILE 54 6.823 -3.019 -5.975 414 HG12 ILE 54 1HG1 ILE 54 9.047 -1.017 -6.431 415 HG13 ILE 54 2HG1 ILE 54 9.109 -2.245 -5.183 416 HG21 ILE 54 1HG2 ILE 54 7.012 -0.476 -7.591 417 HG22 ILE 54 2HG2 ILE 54 6.601 -2.120 -8.137 418 HG23 ILE 54 3HG2 ILE 54 5.455 -1.204 -7.128 419 HD11 ILE 54 1HD1 ILE 54 8.362 -3.766 -7.358 420 HD12 ILE 54 2HD1 ILE 54 9.381 -2.526 -8.128 421 HD13 ILE 54 3HD1 ILE 54 10.044 -3.538 -6.822 422 H LEU 55 H LEU 55 5.097 0.679 -4.094 423 HA LEU 55 HA LEU 55 2.884 -1.115 -3.554 424 HB2 LEU 55 1HB LEU 55 3.624 0.715 -2.001 425 HB3 LEU 55 2HB LEU 55 3.063 1.875 -3.188 426 HG LEU 55 HG LEU 55 1.530 0.174 -1.309 427 HD11 LEU 55 1HD1 LEU 55 0.319 2.601 -2.437 428 HD12 LEU 55 2HD1 LEU 55 0.578 2.118 -0.743 429 HD13 LEU 55 3HD1 LEU 55 1.903 2.863 -1.669 430 HD21 LEU 55 1HD2 LEU 55 0.838 -0.821 -3.432 431 HD22 LEU 55 2HD2 LEU 55 -0.482 0.121 -2.697 432 HD23 LEU 55 3HD2 LEU 55 0.436 0.793 -4.067 433 H GLU 56 H GLU 56 1.457 -1.652 -5.107 434 HA GLU 56 HA GLU 56 1.191 0.244 -7.306 435 HB2 GLU 56 1HB GLU 56 1.299 -2.729 -7.162 436 HB3 GLU 56 2HB GLU 56 0.087 -2.092 -8.255 437 HG2 GLU 56 1HG GLU 56 1.859 -0.653 -9.333 438 HG3 GLU 56 2HG GLU 56 3.057 -1.377 -8.279 439 H MET 57 H MET 57 -0.789 1.193 -7.673 440 HA MET 57 HA MET 57 -2.939 0.259 -5.949 441 HB2 MET 57 1HB MET 57 -2.338 2.617 -5.627 442 HB3 MET 57 2HB MET 57 -2.353 2.918 -7.354 443 HG2 MET 57 1HG MET 57 -4.856 2.278 -7.318 444 HG3 MET 57 2HG MET 57 -4.754 2.315 -5.569 445 HE1 MET 57 1HE MET 57 -3.696 3.944 -8.681 446 HE2 MET 57 2HE MET 57 -5.112 5.019 -8.749 447 HE3 MET 57 3HE MET 57 -3.514 5.678 -8.325 448 H SER 58 H SER 58 -5.094 -0.037 -6.795 449 HA SER 58 HA SER 58 -5.128 -0.228 -9.706 450 HB2 SER 58 1HB SER 58 -5.256 -2.475 -9.209 451 HB3 SER 58 2HB SER 58 -5.889 -2.198 -7.599 452 HG SER 58 HG SER 58 -7.454 -1.750 -9.990 453 H GLU 59 H GLU 59 -6.408 1.451 -10.412 454 HA GLU 59 HA GLU 59 -8.413 2.513 -8.721 455 HB2 GLU 59 1HB GLU 59 -6.964 3.755 -10.469 456 HB3 GLU 59 2HB GLU 59 -8.046 3.103 -11.682 457 HG2 GLU 59 1HG GLU 59 -9.996 4.130 -10.434 458 HG3 GLU 59 2HG GLU 59 -8.858 4.857 -9.317 459 H ASN 60 H ASN 60 -10.101 1.079 -8.310 460 HA ASN 60 HA ASN 60 -11.878 -0.113 -8.651 461 HB2 ASN 60 1HB ASN 60 -11.890 1.719 -11.042 462 HB3 ASN 60 2HB ASN 60 -12.991 0.358 -11.105 463 HD21 ASN 60 1HD2 ASN 60 -12.499 3.480 -10.029 464 HD22 ASN 60 2HD2 ASN 60 -13.812 3.639 -8.910 465 H ASN 61 H ASN 61 -11.373 -0.004 -12.197 466 HA ASN 61 HA ASN 61 -10.622 -2.816 -12.061 467 HB2 ASN 61 1HB ASN 61 -12.089 -1.217 -14.220 468 HB3 ASN 61 2HB ASN 61 -11.522 -2.855 -14.477 469 HD21 ASN 61 1HD2 ASN 61 -13.228 -4.112 -14.492 470 HD22 ASN 61 2HD2 ASN 61 -14.489 -4.175 -13.306 471 H ALA 62 H ALA 62 -8.743 -0.563 -11.792 472 HA ALA 62 HA ALA 62 -7.484 -0.378 -14.413 473 HB1 ALA 62 1HB ALA 62 -5.933 1.058 -12.641 474 HB2 ALA 62 2HB ALA 62 -7.283 1.725 -13.590 475 HB3 ALA 62 3HB ALA 62 -7.551 1.195 -11.912 476 HA PRO 63 HA PRO 63 -4.523 -3.360 -13.379 477 HB2 PRO 63 1HB PRO 63 -2.506 -2.711 -15.105 478 HB3 PRO 63 2HB PRO 63 -3.920 -3.628 -15.585 479 HG2 PRO 63 1HG PRO 63 -3.268 -0.799 -16.143 480 HG3 PRO 63 2HG PRO 63 -4.429 -1.837 -16.947 481 HD2 PRO 63 1HD PRO 63 -5.003 0.223 -15.036 482 HD3 PRO 63 2HD PRO 63 -6.150 -0.892 -15.752 483 H TRP 64 H TRP 64 -2.787 -3.862 -12.058 484 HA TRP 64 HA TRP 64 -2.149 -2.083 -10.138 485 HB2 TRP 64 1HB TRP 64 -0.275 -4.172 -11.261 486 HB3 TRP 64 2HB TRP 64 -0.195 -3.447 -9.668 487 HD1 TRP 64 HD TRP 64 -1.410 -6.516 -11.207 488 HE1 TRP 64 1HE TRP 64 -3.194 -7.827 -9.772 489 HE3 TRP 64 3HE TRP 64 -2.476 -2.669 -8.058 490 HZ2 TRP 64 2HZ TRP 64 -4.815 -7.124 -7.531 491 HZ3 TRP 64 3HZ TRP 64 -4.171 -3.065 -6.273 492 HH2 TRP 64 HH TRP 64 -5.325 -5.200 -5.982 493 H THR 65 H THR 65 -1.477 0.009 -10.421 494 HA THR 65 HA THR 65 0.584 0.480 -12.472 495 HB THR 65 HB THR 65 -1.870 1.586 -12.399 496 HG1 THR 65 1HG THR 65 -0.711 3.406 -13.443 497 HG21 THR 65 1HG2 THR 65 -1.762 3.818 -11.337 498 HG22 THR 65 2HG2 THR 65 -1.555 2.567 -10.089 499 HG23 THR 65 3HG2 THR 65 -0.140 3.459 -10.699 500 H VAL 66 H VAL 66 2.598 0.701 -11.755 501 HA VAL 66 HA VAL 66 3.265 0.813 -9.079 502 HB VAL 66 HB VAL 66 4.803 1.723 -11.520 503 HG11 VAL 66 1HG1 VAL 66 6.013 2.632 -9.741 504 HG12 VAL 66 2HG1 VAL 66 5.630 1.275 -8.654 505 HG13 VAL 66 3HG1 VAL 66 6.787 1.048 -9.987 506 HG21 VAL 66 1HG2 VAL 66 4.399 -0.953 -10.192 507 HG22 VAL 66 2HG2 VAL 66 4.301 -0.519 -11.916 508 HG23 VAL 66 3HG2 VAL 66 5.885 -0.608 -11.109 509 H LEU 67 H LEU 67 2.373 2.359 -7.757 510 HA LEU 67 HA LEU 67 2.307 5.099 -8.694 511 HB2 LEU 67 1HB LEU 67 0.426 3.895 -7.478 512 HB3 LEU 67 2HB LEU 67 1.405 4.018 -6.030 513 HG LEU 67 HG LEU 67 1.453 6.556 -6.492 514 HD11 LEU 67 1HD1 LEU 67 -1.149 6.471 -7.795 515 HD12 LEU 67 2HD1 LEU 67 0.291 7.448 -8.168 516 HD13 LEU 67 3HD1 LEU 67 0.142 5.799 -8.819 517 HD21 LEU 67 1HD2 LEU 67 -1.327 5.711 -5.826 518 HD22 LEU 67 2HD2 LEU 67 0.001 5.078 -4.825 519 HD23 LEU 67 3HD2 LEU 67 -0.231 6.835 -4.987 520 H LEU 68 H LEU 68 3.613 3.277 -5.830 521 HA LEU 68 HA LEU 68 5.656 5.381 -5.650 522 HB2 LEU 68 1HB LEU 68 3.851 4.320 -3.716 523 HB3 LEU 68 2HB LEU 68 5.474 3.848 -3.256 524 HG LEU 68 HG LEU 68 4.551 6.684 -3.797 525 HD11 LEU 68 1HD1 LEU 68 5.159 5.264 -1.189 526 HD12 LEU 68 2HD1 LEU 68 4.836 7.006 -1.368 527 HD13 LEU 68 3HD1 LEU 68 3.567 5.820 -1.758 528 HD21 LEU 68 1HD2 LEU 68 7.240 5.545 -3.032 529 HD22 LEU 68 2HD2 LEU 68 6.827 6.630 -4.381 530 HD23 LEU 68 3HD2 LEU 68 6.791 7.237 -2.708 531 H ALA 69 H ALA 69 7.514 4.713 -6.582 532 HA ALA 69 HA ALA 69 8.084 1.877 -6.676 533 HB1 ALA 69 1HB ALA 69 10.220 3.401 -7.746 534 HB2 ALA 69 2HB ALA 69 8.943 2.544 -8.642 535 HB3 ALA 69 3HB ALA 69 8.726 4.255 -8.201 536 H SER 70 H SER 70 9.705 4.918 -5.511 537 HA SER 70 HA SER 70 11.502 3.287 -3.976 538 HB2 SER 70 1HB SER 70 12.832 5.031 -4.543 539 HB3 SER 70 2HB SER 70 11.462 6.007 -5.034 540 HG SER 70 HG SER 70 12.686 5.790 -2.443 541 H VAL 71 H VAL 71 10.488 2.401 -2.172 542 HA VAL 71 HA VAL 71 9.127 4.329 -0.419 543 HB VAL 71 HB VAL 71 8.448 1.463 -1.077 544 HG11 VAL 71 1HG1 VAL 71 6.889 1.385 0.698 545 HG12 VAL 71 2HG1 VAL 71 8.390 2.010 1.421 546 HG13 VAL 71 3HG1 VAL 71 7.057 3.124 1.034 547 HG21 VAL 71 1HG2 VAL 71 6.608 2.255 -2.153 548 HG22 VAL 71 2HG2 VAL 71 6.411 3.630 -1.039 549 HG23 VAL 71 3HG2 VAL 71 7.627 3.702 -2.337 550 H ASP 72 H ASP 72 9.515 4.096 1.846 551 HA ASP 72 HA ASP 72 12.103 3.222 2.411 552 HB2 ASP 72 1HB ASP 72 9.872 4.542 3.794 553 HB3 ASP 72 2HB ASP 72 10.692 3.419 4.861 554 HA PRO 73 HA PRO 73 11.069 -0.940 3.399 555 HB2 PRO 73 1HB PRO 73 13.442 -1.740 4.492 556 HB3 PRO 73 2HB PRO 73 13.151 -1.690 2.764 557 HG2 PRO 73 1HG PRO 73 14.742 0.163 4.430 558 HG3 PRO 73 2HG PRO 73 14.781 -0.059 2.692 559 HD2 PRO 73 1HD PRO 73 13.536 2.094 4.120 560 HD3 PRO 73 2HD PRO 73 13.476 1.809 2.392 561 H LYS 74 H LYS 74 12.205 1.282 5.779 562 HA LYS 74 HA LYS 74 11.368 -0.464 7.922 563 HB2 LYS 74 1HB LYS 74 12.425 2.379 7.965 564 HB3 LYS 74 2HB LYS 74 12.151 1.367 9.369 565 HG2 LYS 74 1HG LYS 74 13.700 -0.296 7.766 566 HG3 LYS 74 2HG LYS 74 14.357 1.282 7.383 567 HD2 LYS 74 1HD LYS 74 14.096 0.039 10.158 568 HD3 LYS 74 2HD LYS 74 15.584 0.357 9.288 569 HE2 LYS 74 1HE LYS 74 13.887 2.767 9.575 570 HE3 LYS 74 2HE LYS 74 14.364 2.085 11.117 571 HZ1 LYS 74 1HZ LYS 74 16.093 3.464 10.546 572 HZ2 LYS 74 2HZ LYS 74 16.665 2.008 10.079 573 HZ3 LYS 74 3HZ LYS 74 16.083 3.052 8.966 574 H ALA 75 H ALA 75 9.744 1.293 5.645 575 HA ALA 75 HA ALA 75 7.803 2.417 7.508 576 HB1 ALA 75 1HB ALA 75 6.864 2.985 5.014 577 HB2 ALA 75 2HB ALA 75 8.038 4.002 5.884 578 HB3 ALA 75 3HB ALA 75 8.604 2.827 4.673 579 H THR 76 H THR 76 5.820 1.499 7.898 580 HA THR 76 HA THR 76 5.181 -0.899 6.307 581 HB THR 76 HB THR 76 3.999 -1.526 8.577 582 HG1 THR 76 1HG THR 76 5.259 -0.369 10.326 583 HG21 THR 76 1HG2 THR 76 6.673 -1.948 7.647 584 HG22 THR 76 2HG2 THR 76 6.807 -1.492 9.362 585 HG23 THR 76 3HG2 THR 76 5.808 -2.886 8.887 586 H SER 77 H SER 77 4.425 2.277 6.607 587 HA SER 77 HA SER 77 1.729 1.706 5.753 588 HB2 SER 77 1HB SER 77 1.054 3.827 7.192 589 HB3 SER 77 2HB SER 77 1.087 2.235 7.924 590 HG SER 77 HG SER 77 2.359 4.326 8.828 591 H VAL 78 H VAL 78 0.829 3.439 4.401 592 HA VAL 78 HA VAL 78 2.614 5.651 3.814 593 HB VAL 78 HB VAL 78 3.198 3.615 2.384 594 HG11 VAL 78 1HG1 VAL 78 0.467 4.295 1.274 595 HG12 VAL 78 2HG1 VAL 78 1.709 3.466 0.304 596 HG13 VAL 78 3HG1 VAL 78 1.096 2.714 1.796 597 HG21 VAL 78 1HG2 VAL 78 4.126 5.102 0.993 598 HG22 VAL 78 2HG2 VAL 78 2.540 5.643 0.393 599 HG23 VAL 78 3HG2 VAL 78 3.220 6.355 1.875 600 H THR 79 H THR 79 1.513 7.356 2.557 601 HA THR 79 HA THR 79 -1.417 7.077 2.679 602 HB THR 79 HB THR 79 0.358 9.439 3.490 603 HG1 THR 79 1HG THR 79 -1.524 7.592 4.783 604 HG21 THR 79 1HG2 THR 79 -1.989 9.943 2.392 605 HG22 THR 79 2HG2 THR 79 -2.652 9.205 3.870 606 HG23 THR 79 3HG2 THR 79 -1.630 10.659 3.982 607 H VAL 80 H VAL 80 -2.172 6.972 0.660 608 HA VAL 80 HA VAL 80 -0.671 8.148 -1.483 609 HB VAL 80 HB VAL 80 -3.360 6.764 -1.394 610 HG11 VAL 80 1HG1 VAL 80 -1.610 7.622 -3.715 611 HG12 VAL 80 2HG1 VAL 80 -2.903 6.408 -3.860 612 HG13 VAL 80 3HG1 VAL 80 -3.298 8.077 -3.383 613 HG21 VAL 80 1HG2 VAL 80 -0.571 5.793 -1.429 614 HG22 VAL 80 2HG2 VAL 80 -2.068 4.976 -0.919 615 HG23 VAL 80 3HG2 VAL 80 -1.637 5.048 -2.644 616 H LYS 81 H LYS 81 -1.440 9.831 -2.910 617 HA LYS 81 HA LYS 81 -3.700 11.374 -1.940 618 HB2 LYS 81 1HB LYS 81 -1.000 12.690 -2.321 619 HB3 LYS 81 2HB LYS 81 -2.481 13.431 -1.748 620 HG2 LYS 81 1HG LYS 81 -2.453 12.054 0.289 621 HG3 LYS 81 2HG LYS 81 -1.088 11.130 -0.304 622 HD2 LYS 81 1HD LYS 81 -0.203 13.797 -0.477 623 HD3 LYS 81 2HD LYS 81 -1.127 13.766 1.012 624 HE2 LYS 81 1HE LYS 81 0.981 13.093 1.783 625 HE3 LYS 81 2HE LYS 81 0.217 11.540 1.507 626 HZ1 LYS 81 1HZ LYS 81 2.428 12.686 0.183 627 HZ2 LYS 81 2HZ LYS 81 1.908 11.138 0.172 628 HZ3 LYS 81 3HZ LYS 81 1.291 12.214 -0.891 629 H GLY 82 H GLY 82 -4.720 12.579 -3.582 630 HA2 GLY 82 1HA GLY 82 -4.715 13.562 -5.734 631 HA3 GLY 82 2HA GLY 82 -3.483 12.428 -6.252 632 H LEU 83 H LEU 83 -6.068 11.174 -4.217 633 HA LEU 83 HA LEU 83 -6.923 9.484 -6.372 634 HB2 LEU 83 1HB LEU 83 -7.160 9.591 -3.451 635 HB3 LEU 83 2HB LEU 83 -8.607 9.014 -4.254 636 HG LEU 83 HG LEU 83 -7.538 7.136 -5.142 637 HD11 LEU 83 1HD1 LEU 83 -5.635 7.972 -6.212 638 HD12 LEU 83 2HD1 LEU 83 -4.959 8.635 -4.704 639 HD13 LEU 83 3HD1 LEU 83 -4.990 6.875 -4.967 640 HD21 LEU 83 1HD2 LEU 83 -7.478 6.136 -3.166 641 HD22 LEU 83 2HD2 LEU 83 -5.834 6.761 -2.895 642 HD23 LEU 83 3HD2 LEU 83 -7.244 7.706 -2.361 643 H VAL 84 H VAL 84 -9.574 9.141 -6.230 644 HA VAL 84 HA VAL 84 -10.679 11.836 -6.616 645 HB VAL 84 HB VAL 84 -11.002 9.348 -8.297 646 HG11 VAL 84 1HG1 VAL 84 -12.798 10.273 -9.443 647 HG12 VAL 84 2HG1 VAL 84 -13.153 10.737 -7.761 648 HG13 VAL 84 3HG1 VAL 84 -12.444 11.925 -8.882 649 HG21 VAL 84 1HG2 VAL 84 -9.707 10.350 -9.851 650 HG22 VAL 84 2HG2 VAL 84 -10.400 11.961 -9.542 651 HG23 VAL 84 3HG2 VAL 84 -9.124 11.322 -8.479 652 HA PRO 85 HA PRO 85 -13.716 10.445 -3.867 653 HB2 PRO 85 1HB PRO 85 -15.649 12.332 -4.284 654 HB3 PRO 85 2HB PRO 85 -14.250 12.602 -3.263 655 HG2 PRO 85 1HG PRO 85 -14.788 13.632 -5.981 656 HG3 PRO 85 2HG PRO 85 -13.634 14.212 -4.797 657 HD2 PRO 85 1HD PRO 85 -13.060 12.633 -7.122 658 HD3 PRO 85 2HD PRO 85 -11.926 13.115 -5.876 659 H ALA 86 H ALA 86 -15.499 9.117 -3.636 660 HA ALA 86 HA ALA 86 -17.079 7.740 -4.343 661 HB1 ALA 86 1HB ALA 86 -17.376 9.839 -6.525 662 HB2 ALA 86 2HB ALA 86 -18.496 8.475 -6.297 663 HB3 ALA 86 3HB ALA 86 -18.317 9.703 -5.020 664 H ARG 87 H ARG 87 -14.537 6.895 -4.809 665 HA ARG 87 HA ARG 87 -14.948 5.345 -7.171 666 HB2 ARG 87 1HB ARG 87 -12.700 7.367 -6.902 667 HB3 ARG 87 2HB ARG 87 -12.414 5.889 -7.800 668 HG2 ARG 87 1HG ARG 87 -14.693 6.508 -9.017 669 HG3 ARG 87 2HG ARG 87 -14.374 8.119 -8.406 670 HD2 ARG 87 1HD ARG 87 -12.080 8.028 -9.481 671 HD3 ARG 87 2HD ARG 87 -12.496 6.469 -10.166 672 HE ARG 87 HE ARG 87 -13.544 9.091 -11.005 673 HH11 ARG 87 2HH2 ARG 87 -13.945 5.599 -11.149 674 HH12 ARG 87 1HH2 ARG 87 -14.898 5.640 -12.595 675 HH21 ARG 87 2HH1 ARG 87 -14.801 9.146 -12.912 676 HH22 ARG 87 1HH1 ARG 87 -15.388 7.671 -13.605 677 H SER 88 H SER 88 -13.820 3.317 -7.054 678 HA SER 88 HA SER 88 -12.872 2.730 -4.426 679 HB2 SER 88 1HB SER 88 -13.258 1.021 -6.919 680 HB3 SER 88 2HB SER 88 -12.677 0.375 -5.397 681 HG SER 88 HG SER 88 -14.678 1.168 -4.395 682 H TYR 89 H TYR 89 -10.739 1.898 -3.914 683 HA TYR 89 HA TYR 89 -8.753 2.053 -6.040 684 HB2 TYR 89 1HB TYR 89 -8.963 3.663 -3.435 685 HB3 TYR 89 2HB TYR 89 -7.398 3.394 -4.176 686 HD1 TYR 89 1HD TYR 89 -7.285 4.033 -6.774 687 HD2 TYR 89 2HD TYR 89 -10.123 5.600 -3.983 688 HE1 TYR 89 1HE TYR 89 -7.655 6.052 -8.273 689 HE2 TYR 89 2HE TYR 89 -10.484 7.614 -5.491 690 HH TYR 89 HH TYR 89 -8.788 7.861 -8.604 691 H GLN 90 H GLN 90 -7.292 0.412 -5.876 692 HA GLN 90 HA GLN 90 -7.318 -1.023 -3.340 693 HB2 GLN 90 1HB GLN 90 -7.254 -1.875 -6.185 694 HB3 GLN 90 2HB GLN 90 -6.138 -2.745 -5.153 695 HG2 GLN 90 1HG GLN 90 -8.042 -3.202 -3.549 696 HG3 GLN 90 2HG GLN 90 -9.137 -2.419 -4.671 697 HE21 GLN 90 1HE2 GLN 90 -9.501 -5.011 -3.872 698 HE22 GLN 90 2HE2 GLN 90 -9.247 -6.106 -5.190 699 H PHE 91 H PHE 91 -5.210 -2.023 -2.650 700 HA PHE 91 HA PHE 91 -2.876 -0.722 -3.804 701 HB2 PHE 91 1HB PHE 91 -3.785 -0.704 -0.863 702 HB3 PHE 91 2HB PHE 91 -2.190 -0.188 -1.375 703 HD1 PHE 91 2HD PHE 91 -2.335 1.611 -3.420 704 HD2 PHE 91 1HD PHE 91 -5.289 0.978 -0.441 705 HE1 PHE 91 2HE PHE 91 -3.206 3.936 -3.790 706 HE2 PHE 91 1HE PHE 91 -6.161 3.302 -0.811 707 HZ PHE 91 HZ PHE 91 -5.109 4.754 -2.481 708 H ARG 92 H ARG 92 -0.951 -1.924 -3.574 709 HA ARG 92 HA ARG 92 -0.860 -4.101 -1.787 710 HB2 ARG 92 1HB ARG 92 -0.488 -5.819 -3.702 711 HB3 ARG 92 2HB ARG 92 -2.144 -5.349 -3.369 712 HG2 ARG 92 1HG ARG 92 -2.310 -4.021 -5.308 713 HG3 ARG 92 2HG ARG 92 -0.581 -3.748 -5.401 714 HD2 ARG 92 1HD ARG 92 -0.807 -6.541 -5.653 715 HD3 ARG 92 2HD ARG 92 -2.190 -5.942 -6.547 716 HE ARG 92 HE ARG 92 -0.021 -4.333 -7.344 717 HH11 ARG 92 2HH2 ARG 92 -0.862 -7.748 -7.454 718 HH12 ARG 92 1HH2 ARG 92 0.061 -8.060 -8.887 719 HH21 ARG 92 2HH1 ARG 92 1.196 -4.744 -9.234 720 HH22 ARG 92 1HH1 ARG 92 1.239 -6.340 -9.906 721 H LEU 93 H LEU 93 1.232 -3.750 -1.093 722 HA LEU 93 HA LEU 93 3.217 -3.086 -3.149 723 HB2 LEU 93 1HB LEU 93 4.484 -2.017 -1.434 724 HB3 LEU 93 2HB LEU 93 2.851 -1.382 -1.434 725 HG LEU 93 HG LEU 93 3.621 -3.579 0.475 726 HD11 LEU 93 1HD1 LEU 93 5.109 -1.314 0.422 727 HD12 LEU 93 2HD1 LEU 93 3.789 -0.814 1.507 728 HD13 LEU 93 3HD1 LEU 93 4.761 -2.254 1.893 729 HD21 LEU 93 1HD2 LEU 93 1.474 -3.349 1.005 730 HD22 LEU 93 2HD2 LEU 93 1.893 -1.760 1.689 731 HD23 LEU 93 3HD2 LEU 93 1.311 -1.881 0.011 732 H CYS 94 H CYS 94 5.437 -4.016 -2.782 733 HA CYS 94 HA CYS 94 5.190 -6.669 -1.560 734 HB2 CYS 94 1HB CYS 94 6.744 -7.507 -3.307 735 HB3 CYS 94 2HB CYS 94 5.204 -6.973 -3.951 736 HG CYS 94 HG CYS 94 6.694 -6.062 -5.702 737 H ALA 95 H ALA 95 7.649 -7.544 -1.257 738 HA ALA 95 HA ALA 95 9.073 -5.338 0.057 739 HB1 ALA 95 1HB ALA 95 9.171 -8.340 0.566 740 HB2 ALA 95 2HB ALA 95 10.013 -7.084 1.505 741 HB3 ALA 95 3HB ALA 95 8.235 -7.163 1.518 742 H VAL 96 H VAL 96 10.920 -4.646 -0.891 743 HA VAL 96 HA VAL 96 12.295 -6.564 -2.644 744 HB VAL 96 HB VAL 96 12.198 -3.566 -2.988 745 HG11 VAL 96 1HG1 VAL 96 13.281 -3.883 -5.024 746 HG12 VAL 96 2HG1 VAL 96 14.075 -5.082 -3.976 747 HG13 VAL 96 3HG1 VAL 96 12.817 -5.598 -5.124 748 HG21 VAL 96 1HG2 VAL 96 10.223 -5.629 -3.736 749 HG22 VAL 96 2HG2 VAL 96 10.042 -3.865 -3.577 750 HG23 VAL 96 3HG2 VAL 96 10.724 -4.560 -5.068 751 H ASN 97 H ASN 97 14.478 -6.851 -2.303 752 HA ASN 97 HA ASN 97 15.697 -5.011 -0.408 753 HB2 ASN 97 1HB ASN 97 16.885 -6.990 0.623 754 HB3 ASN 97 2HB ASN 97 15.150 -7.044 0.862 755 HD21 ASN 97 1HD2 ASN 97 16.317 -9.330 1.202 756 HD22 ASN 97 2HD2 ASN 97 16.112 -10.431 -0.119 757 H ASP 98 H ASP 98 18.287 -6.105 -0.365 758 HA ASP 98 HA ASP 98 19.278 -5.300 -2.817 759 HB2 ASP 98 1HB ASP 98 20.578 -5.249 -0.707 760 HB3 ASP 98 2HB ASP 98 20.545 -6.999 -0.617 761 H VAL 99 H VAL 99 18.074 -8.372 -1.579 762 HA VAL 99 HA VAL 99 19.497 -10.076 -3.334 763 HB VAL 99 HB VAL 99 16.858 -10.512 -1.924 764 HG11 VAL 99 1HG1 VAL 99 18.813 -12.303 -3.326 765 HG12 VAL 99 2HG1 VAL 99 17.934 -12.926 -1.909 766 HG13 VAL 99 3HG1 VAL 99 17.033 -12.333 -3.325 767 HG21 VAL 99 1HG2 VAL 99 19.466 -11.452 -0.790 768 HG22 VAL 99 2HG2 VAL 99 19.012 -9.743 -0.583 769 HG23 VAL 99 3HG2 VAL 99 17.946 -11.028 0.034 770 H GLY 100 H GLY 100 16.039 -8.940 -3.316 771 HA2 GLY 100 1HA GLY 100 15.976 -8.269 -6.029 772 HA3 GLY 100 2HA GLY 100 15.455 -9.936 -5.885 773 H LYS 101 H LYS 101 13.387 -8.854 -6.763 774 HA LYS 101 HA LYS 101 11.919 -7.371 -4.756 775 HB2 LYS 101 1HB LYS 101 11.957 -6.812 -7.239 776 HB3 LYS 101 2HB LYS 101 10.982 -8.245 -7.498 777 HG2 LYS 101 1HG LYS 101 9.817 -6.759 -5.309 778 HG3 LYS 101 2HG LYS 101 10.121 -5.638 -6.621 779 HD2 LYS 101 1HD LYS 101 8.045 -6.415 -7.297 780 HD3 LYS 101 2HD LYS 101 9.050 -7.601 -8.106 781 HE2 LYS 101 1HE LYS 101 8.644 -8.551 -5.425 782 HE3 LYS 101 2HE LYS 101 7.082 -8.023 -6.016 783 HZ1 LYS 101 1HZ LYS 101 8.259 -10.360 -6.607 784 HZ2 LYS 101 2HZ LYS 101 7.020 -9.699 -7.440 785 HZ3 LYS 101 3HZ LYS 101 8.556 -9.488 -7.955 786 H GLY 102 H GLY 102 10.733 -8.349 -3.215 787 HA2 GLY 102 1HA GLY 102 10.393 -11.153 -3.138 788 HA3 GLY 102 2HA GLY 102 9.651 -9.966 -2.084 789 H GLN 103 H GLN 103 7.452 -9.966 -2.121 790 HA GLN 103 HA GLN 103 6.179 -10.230 -4.701 791 HB2 GLN 103 1HB GLN 103 4.501 -11.862 -3.672 792 HB3 GLN 103 2HB GLN 103 6.094 -12.514 -4.001 793 HG2 GLN 103 1HG GLN 103 6.624 -12.744 -1.762 794 HG3 GLN 103 2HG GLN 103 5.761 -11.293 -1.294 795 HE21 GLN 103 1HE2 GLN 103 5.786 -14.093 -0.270 796 HE22 GLN 103 2HE2 GLN 103 4.131 -14.601 -0.206 797 H PHE 104 H PHE 104 3.858 -9.514 -4.639 798 HA PHE 104 HA PHE 104 3.619 -7.309 -2.802 799 HB2 PHE 104 1HB PHE 104 1.872 -8.457 -5.062 800 HB3 PHE 104 2HB PHE 104 1.549 -6.928 -4.269 801 HD1 PHE 104 2HD PHE 104 4.024 -8.706 -6.375 802 HD2 PHE 104 1HD PHE 104 2.631 -4.954 -4.966 803 HE1 PHE 104 2HE PHE 104 5.504 -7.536 -8.030 804 HE2 PHE 104 1HE PHE 104 4.110 -3.783 -6.622 805 HZ PHE 104 HZ PHE 104 5.529 -5.088 -8.134 806 H SER 105 H SER 105 1.557 -6.890 -1.609 807 HA SER 105 HA SER 105 0.766 -9.325 -0.317 808 HB2 SER 105 1HB SER 105 -0.638 -7.494 1.034 809 HB3 SER 105 2HB SER 105 1.076 -7.723 1.318 810 HG SER 105 HG SER 105 -0.242 -5.509 0.355 811 H LYS 106 H LYS 106 -1.680 -9.577 0.241 812 HA LYS 106 HA LYS 106 -3.105 -9.823 -2.131 813 HB2 LYS 106 1HB LYS 106 -3.745 -10.054 0.788 814 HB3 LYS 106 2HB LYS 106 -5.068 -10.029 -0.361 815 HG2 LYS 106 1HG LYS 106 -2.675 -11.923 -0.523 816 HG3 LYS 106 2HG LYS 106 -4.236 -12.353 0.148 817 HD2 LYS 106 1HD LYS 106 -4.556 -11.147 -2.502 818 HD3 LYS 106 2HD LYS 106 -3.444 -12.500 -2.574 819 HE2 LYS 106 1HE LYS 106 -6.040 -12.815 -1.045 820 HE3 LYS 106 2HE LYS 106 -6.069 -12.898 -2.795 821 HZ1 LYS 106 1HZ LYS 106 -5.727 -15.054 -1.899 822 HZ2 LYS 106 2HZ LYS 106 -4.343 -14.606 -2.640 823 HZ3 LYS 106 3HZ LYS 106 -4.444 -14.573 -1.011 824 H ASP 107 H ASP 107 -5.194 -8.757 -2.715 825 HA ASP 107 HA ASP 107 -4.801 -6.027 -2.908 826 HB2 ASP 107 1HB ASP 107 -7.292 -6.076 -3.642 827 HB3 ASP 107 2HB ASP 107 -6.150 -7.013 -4.585 828 H THR 108 H THR 108 -4.939 -4.629 -1.138 829 HA THR 108 HA THR 108 -6.159 -5.210 1.269 830 HB THR 108 HB THR 108 -6.017 -2.625 1.493 831 HG1 THR 108 1HG THR 108 -6.306 -2.394 -0.897 832 HG21 THR 108 1HG2 THR 108 -3.957 -3.384 2.226 833 HG22 THR 108 2HG2 THR 108 -3.790 -4.519 0.864 834 HG23 THR 108 3HG2 THR 108 -3.399 -2.796 0.641 835 H GLU 109 H GLU 109 -8.084 -4.437 2.311 836 HA GLU 109 HA GLU 109 -10.346 -5.007 0.988 837 HB2 GLU 109 1HB GLU 109 -9.630 -3.926 3.532 838 HB3 GLU 109 2HB GLU 109 -10.913 -2.907 2.911 839 HG2 GLU 109 1HG GLU 109 -12.180 -5.101 2.351 840 HG3 GLU 109 2HG GLU 109 -10.979 -5.925 3.326 841 H ARG 110 H ARG 110 -11.286 -4.136 -0.803 842 HA ARG 110 HA ARG 110 -10.567 -2.051 -2.175 843 HB2 ARG 110 1HB ARG 110 -12.684 -3.708 -2.345 844 HB3 ARG 110 2HB ARG 110 -13.554 -2.300 -1.770 845 HG2 ARG 110 1HG ARG 110 -12.273 -1.009 -3.675 846 HG3 ARG 110 2HG ARG 110 -11.949 -2.601 -4.331 847 HD2 ARG 110 1HD ARG 110 -14.787 -1.861 -3.559 848 HD3 ARG 110 2HD ARG 110 -14.129 -1.280 -5.076 849 HE ARG 110 HE ARG 110 -14.782 -4.069 -4.400 850 HH11 ARG 110 2HH2 ARG 110 -13.040 -1.928 -6.583 851 HH12 ARG 110 1HH2 ARG 110 -12.955 -3.093 -7.862 852 HH21 ARG 110 2HH1 ARG 110 -14.670 -5.606 -6.087 853 HH22 ARG 110 1HH1 ARG 110 -13.888 -5.199 -7.578 854 H VAL 111 H VAL 111 -9.913 -0.078 -1.300 855 HA VAL 111 HA VAL 111 -11.593 1.172 0.707 856 HB VAL 111 HB VAL 111 -8.981 2.087 -0.511 857 HG11 VAL 111 1HG1 VAL 111 -10.696 3.028 1.760 858 HG12 VAL 111 2HG1 VAL 111 -8.927 3.163 1.909 859 HG13 VAL 111 3HG1 VAL 111 -9.770 3.963 0.561 860 HG21 VAL 111 1HG2 VAL 111 -8.051 1.177 1.715 861 HG22 VAL 111 2HG2 VAL 111 -9.557 0.232 1.803 862 HG23 VAL 111 3HG2 VAL 111 -8.443 0.005 0.434 863 H SER 112 H SER 112 -13.365 2.237 -0.024 864 HA SER 112 HA SER 112 -13.182 3.483 -2.623 865 HB2 SER 112 1HB SER 112 -15.203 2.332 -2.516 866 HB3 SER 112 2HB SER 112 -15.407 2.619 -0.800 867 HG SER 112 HG SER 112 -16.905 3.961 -1.735 868 H LEU 113 H LEU 113 -13.453 5.749 -2.955 869 HA LEU 113 HA LEU 113 -12.954 7.325 -0.561 870 HB2 LEU 113 1HB LEU 113 -11.955 7.344 -3.172 871 HB3 LEU 113 2HB LEU 113 -12.969 8.769 -3.072 872 HG LEU 113 HG LEU 113 -11.436 8.748 -0.697 873 HD11 LEU 113 1HD1 LEU 113 -9.596 7.586 -1.186 874 HD12 LEU 113 2HD1 LEU 113 -10.004 7.493 -2.916 875 HD13 LEU 113 3HD1 LEU 113 -9.177 8.932 -2.273 876 HD21 LEU 113 1HD2 LEU 113 -10.444 10.507 -2.810 877 HD22 LEU 113 2HD2 LEU 113 -12.217 10.531 -2.654 878 HD23 LEU 113 3HD2 LEU 113 -11.194 10.897 -1.244 879 HA PRO 114 HA PRO 114 -17.028 8.774 -0.508 880 HB2 PRO 114 1HB PRO 114 -16.738 10.914 1.168 881 HB3 PRO 114 2HB PRO 114 -16.890 9.264 1.738 882 HG2 PRO 114 1HG PRO 114 -14.475 10.963 1.606 883 HG3 PRO 114 2HG PRO 114 -14.742 9.505 2.541 884 HD2 PRO 114 1HD PRO 114 -13.221 9.737 0.120 885 HD3 PRO 114 2HD PRO 114 -13.585 8.261 0.992 886 H GLU 115 H GLU 115 -18.511 10.328 -1.307 887 HA GLU 115 HA GLU 115 -17.338 11.716 -3.467 888 HB2 GLU 115 1HB GLU 115 -19.758 10.645 -3.133 889 HB3 GLU 115 2HB GLU 115 -20.159 12.242 -2.532 890 HG2 GLU 115 1HG GLU 115 -19.031 13.143 -4.710 891 HG3 GLU 115 2HG GLU 115 -19.120 11.492 -5.292 892 H SER 116 H SER 116 -16.659 13.831 -3.593 893 HA SER 116 HA SER 116 -17.184 15.437 -1.220 894 HB2 SER 116 1HB SER 116 -14.920 15.661 -3.253 895 HB3 SER 116 2HB SER 116 -15.123 16.698 -1.855 896 HG SER 116 HG SER 116 -13.601 14.861 -1.577 897 H GLY 117 H GLY 117 -16.290 16.027 -4.704 898 HA2 GLY 117 1HA GLY 117 -18.287 18.196 -4.750 899 HA3 GLY 117 2HA GLY 117 -16.871 18.067 -5.774 900 HA PRO 118 HA PRO 118 -20.584 16.080 -7.756 901 HB2 PRO 118 1HB PRO 118 -21.577 18.105 -9.299 902 HB3 PRO 118 2HB PRO 118 -22.249 17.670 -7.741 903 HG2 PRO 118 1HG PRO 118 -20.561 19.991 -8.448 904 HG3 PRO 118 2HG PRO 118 -21.577 19.762 -7.039 905 HD2 PRO 118 1HD PRO 118 -18.719 19.539 -7.149 906 HD3 PRO 118 2HD PRO 118 -19.745 19.197 -5.770 907 H SER 119 H SER 119 -18.305 15.258 -8.380 908 HA SER 119 HA SER 119 -17.227 16.334 -10.703 909 HB2 SER 119 1HB SER 119 -16.146 14.745 -8.983 910 HB3 SER 119 2HB SER 119 -16.976 13.437 -9.802 911 HG SER 119 HG SER 119 -15.795 14.838 -11.749 912 H SER 120 H SER 120 -19.144 13.275 -10.188 913 HA SER 120 HA SER 120 -19.572 13.112 -13.015 914 HB2 SER 120 1HB SER 120 -20.515 11.365 -10.699 915 HB3 SER 120 2HB SER 120 -20.836 11.008 -12.385 916 HG SER 120 HG SER 120 -18.349 10.960 -10.964 917 H GLY 121 H GLY 121 -21.146 14.394 -13.917 918 HA2 GLY 121 1HA GLY 121 -23.831 14.170 -13.368 919 HA3 GLY 121 2HA GLY 121 -23.276 15.497 -12.367 Start of MODEL 7 1 H1 GLY 1 H GLY 1 19.022 -18.874 -16.486 2 HA2 GLY 1 1HA GLY 1 17.283 -19.049 -14.600 3 HA3 GLY 1 2HA GLY 1 16.133 -18.951 -15.918 4 H SER 2 H SER 2 17.598 -21.115 -13.912 5 HA SER 2 HA SER 2 17.290 -23.208 -15.894 6 HB2 SER 2 1HB SER 2 19.344 -24.255 -15.413 7 HB3 SER 2 2HB SER 2 19.772 -22.556 -15.468 8 HG SER 2 HG SER 2 19.372 -24.214 -13.137 9 H SER 3 H SER 3 17.167 -25.449 -14.720 10 HA SER 3 HA SER 3 15.508 -25.019 -12.390 11 HB2 SER 3 1HB SER 3 14.764 -26.392 -14.434 12 HB3 SER 3 2HB SER 3 15.919 -27.611 -13.935 13 HG SER 3 HG SER 3 14.787 -27.883 -11.955 14 H GLY 4 H GLY 4 15.768 -26.447 -10.465 15 HA2 GLY 4 1HA GLY 4 18.608 -27.035 -9.999 16 HA3 GLY 4 2HA GLY 4 17.373 -26.765 -8.786 17 H SER 5 H SER 5 18.869 -28.941 -8.313 18 HA SER 5 HA SER 5 17.060 -31.089 -9.063 19 HB2 SER 5 1HB SER 5 20.090 -31.071 -9.240 20 HB3 SER 5 2HB SER 5 19.218 -32.576 -9.033 21 HG SER 5 HG SER 5 18.576 -32.520 -11.082 22 H SER 6 H SER 6 19.976 -30.321 -7.012 23 HA SER 6 HA SER 6 18.732 -31.853 -4.891 24 HB2 SER 6 1HB SER 6 20.960 -31.745 -3.805 25 HB3 SER 6 2HB SER 6 21.065 -32.408 -5.423 26 HG SER 6 HG SER 6 22.601 -30.917 -5.651 27 H GLY 7 H GLY 7 18.385 -30.932 -2.767 28 HA2 GLY 7 1HA GLY 7 18.451 -27.973 -2.728 29 HA3 GLY 7 2HA GLY 7 17.127 -28.924 -2.085 30 H ARG 8 H ARG 8 17.580 -27.763 -0.020 31 HA ARG 8 HA ARG 8 18.365 -27.660 1.989 32 HB2 ARG 8 1HB ARG 8 19.117 -30.485 1.230 33 HB3 ARG 8 2HB ARG 8 19.767 -29.852 2.729 34 HG2 ARG 8 1HG ARG 8 17.161 -29.065 3.001 35 HG3 ARG 8 2HG ARG 8 16.930 -30.489 2.006 36 HD2 ARG 8 1HD ARG 8 18.846 -30.880 4.253 37 HD3 ARG 8 2HD ARG 8 17.210 -30.519 4.764 38 HE ARG 8 HE ARG 8 16.949 -32.460 2.744 39 HH11 ARG 8 2HH2 ARG 8 18.498 -32.238 5.896 40 HH12 ARG 8 1HH2 ARG 8 18.348 -33.931 6.230 41 HH21 ARG 8 2HH1 ARG 8 16.750 -34.693 3.185 42 HH22 ARG 8 1HH1 ARG 8 17.347 -35.337 4.678 43 H SER 9 H SER 9 19.874 -25.977 1.998 44 HA SER 9 HA SER 9 22.609 -26.768 2.052 45 HB2 SER 9 1HB SER 9 23.369 -25.196 0.302 46 HB3 SER 9 2HB SER 9 22.317 -26.425 -0.371 47 HG SER 9 HG SER 9 20.837 -24.940 -0.877 48 H ALA 10 H ALA 10 23.060 -25.848 4.033 49 HA ALA 10 HA ALA 10 22.577 -22.980 4.275 50 HB1 ALA 10 1HB ALA 10 21.182 -25.094 5.729 51 HB2 ALA 10 2HB ALA 10 22.074 -24.019 6.832 52 HB3 ALA 10 3HB ALA 10 20.875 -23.341 5.705 53 H HIS 11 H HIS 11 24.217 -21.900 5.390 54 HA HIS 11 HA HIS 11 26.109 -23.437 6.901 55 HB2 HIS 11 1HB HIS 11 26.606 -22.788 4.116 56 HB3 HIS 11 2HB HIS 11 27.786 -22.009 5.152 57 HD1 HIS 11 1HD HIS 11 27.571 -24.915 3.253 58 HD2 HIS 11 2HD HIS 11 28.600 -24.242 7.264 59 HE1 HIS 11 1HE HIS 11 28.935 -26.941 3.991 60 H LEU 12 H LEU 12 25.324 -20.303 5.268 61 HA LEU 12 HA LEU 12 25.721 -18.998 7.835 62 HB2 LEU 12 1HB LEU 12 27.203 -18.253 5.313 63 HB3 LEU 12 2HB LEU 12 27.027 -17.183 6.689 64 HG LEU 12 HG LEU 12 28.284 -19.924 6.911 65 HD11 LEU 12 1HD1 LEU 12 30.061 -17.562 6.890 66 HD12 LEU 12 2HD1 LEU 12 30.302 -19.197 6.228 67 HD13 LEU 12 3HD1 LEU 12 29.342 -18.003 5.322 68 HD21 LEU 12 1HD2 LEU 12 29.411 -18.632 8.885 69 HD22 LEU 12 2HD2 LEU 12 28.007 -17.550 8.724 70 HD23 LEU 12 3HD2 LEU 12 27.763 -19.281 9.061 71 H ARG 13 H ARG 13 25.032 -16.533 7.510 72 HA ARG 13 HA ARG 13 22.443 -16.427 7.105 73 HB2 ARG 13 1HB ARG 13 24.571 -14.335 6.504 74 HB3 ARG 13 2HB ARG 13 22.872 -13.944 6.329 75 HG2 ARG 13 1HG ARG 13 22.757 -13.563 8.559 76 HG3 ARG 13 2HG ARG 13 23.089 -15.259 8.846 77 HD2 ARG 13 1HD ARG 13 25.309 -14.883 9.368 78 HD3 ARG 13 2HD ARG 13 25.492 -13.624 8.163 79 HE ARG 13 HE ARG 13 23.807 -12.462 10.031 80 HH11 ARG 13 2HH2 ARG 13 26.955 -14.024 10.221 81 HH12 ARG 13 1HH2 ARG 13 27.478 -13.092 11.584 82 HH21 ARG 13 2HH1 ARG 13 24.497 -11.232 11.830 83 HH22 ARG 13 1HH1 ARG 13 26.070 -11.493 12.505 84 H VAL 14 H VAL 14 21.052 -16.831 5.412 85 HA VAL 14 HA VAL 14 22.183 -16.688 2.712 86 HB VAL 14 HB VAL 14 21.225 -18.838 3.724 87 HG11 VAL 14 1HG1 VAL 14 18.576 -17.561 2.993 88 HG12 VAL 14 2HG1 VAL 14 18.861 -19.152 3.739 89 HG13 VAL 14 3HG1 VAL 14 19.186 -17.665 4.661 90 HG21 VAL 14 1HG2 VAL 14 21.654 -18.228 1.244 91 HG22 VAL 14 2HG2 VAL 14 20.603 -19.618 1.608 92 HG23 VAL 14 3HG2 VAL 14 19.886 -18.059 1.135 93 H ARG 15 H ARG 15 21.547 -15.072 1.377 94 HA ARG 15 HA ARG 15 19.607 -13.254 2.370 95 HB2 ARG 15 1HB ARG 15 21.105 -13.309 -0.299 96 HB3 ARG 15 2HB ARG 15 20.169 -11.952 0.295 97 HG2 ARG 15 1HG ARG 15 21.670 -11.694 2.230 98 HG3 ARG 15 2HG ARG 15 22.544 -13.149 1.796 99 HD2 ARG 15 1HD ARG 15 22.506 -11.418 -0.519 100 HD3 ARG 15 2HD ARG 15 22.993 -10.456 0.862 101 HE ARG 15 HE ARG 15 24.484 -12.689 -0.331 102 HH11 ARG 15 2HH2 ARG 15 24.073 -10.668 2.521 103 HH12 ARG 15 1HH2 ARG 15 25.667 -10.976 3.125 104 HH21 ARG 15 2HH1 ARG 15 26.586 -13.096 0.466 105 HH22 ARG 15 1HH1 ARG 15 27.106 -12.366 1.949 106 H GLN 16 H GLN 16 17.562 -14.331 2.320 107 HA GLN 16 HA GLN 16 16.761 -15.443 -0.223 108 HB2 GLN 16 1HB GLN 16 14.874 -16.397 0.998 109 HB3 GLN 16 2HB GLN 16 16.352 -16.723 1.882 110 HG2 GLN 16 1HG GLN 16 15.696 -14.359 3.049 111 HG3 GLN 16 2HG GLN 16 14.088 -14.872 2.577 112 HE21 GLN 16 1HE2 GLN 16 17.017 -16.554 3.720 113 HE22 GLN 16 2HE2 GLN 16 16.283 -17.399 5.041 114 H LEU 17 H LEU 17 14.401 -14.936 -0.936 115 HA LEU 17 HA LEU 17 14.217 -12.099 -1.187 116 HB2 LEU 17 1HB LEU 17 12.825 -14.485 -2.303 117 HB3 LEU 17 2HB LEU 17 11.987 -12.947 -2.356 118 HG LEU 17 HG LEU 17 14.707 -13.530 -3.559 119 HD11 LEU 17 1HD1 LEU 17 11.931 -13.554 -4.639 120 HD12 LEU 17 2HD1 LEU 17 13.217 -12.881 -5.670 121 HD13 LEU 17 3HD1 LEU 17 13.344 -14.550 -5.065 122 HD21 LEU 17 1HD2 LEU 17 13.077 -10.990 -3.431 123 HD22 LEU 17 2HD2 LEU 17 14.758 -11.261 -2.912 124 HD23 LEU 17 3HD2 LEU 17 14.350 -11.262 -4.645 125 HA PRO 18 HA PRO 18 11.580 -11.470 2.186 126 HB2 PRO 18 1HB PRO 18 10.796 -8.904 1.661 127 HB3 PRO 18 2HB PRO 18 12.316 -9.302 2.437 128 HG2 PRO 18 1HG PRO 18 11.829 -8.415 -0.341 129 HG3 PRO 18 2HG PRO 18 13.328 -8.407 0.568 130 HD2 PRO 18 1HD PRO 18 12.569 -10.273 -1.475 131 HD3 PRO 18 2HD PRO 18 14.015 -10.331 -0.486 132 H HIS 19 H HIS 19 9.638 -12.268 2.671 133 HA HIS 19 HA HIS 19 7.869 -12.770 0.569 134 HB2 HIS 19 1HB HIS 19 7.997 -13.202 3.469 135 HB3 HIS 19 2HB HIS 19 6.364 -12.947 2.886 136 HD1 HIS 19 1HD HIS 19 5.286 -15.168 2.557 137 HD2 HIS 19 2HD HIS 19 9.297 -15.175 1.329 138 HE1 HIS 19 1HE HIS 19 5.742 -17.496 1.616 139 H ALA 20 H ALA 20 5.502 -12.006 0.567 140 HA ALA 20 HA ALA 20 5.494 -9.218 0.236 141 HB1 ALA 20 1HB ALA 20 2.879 -9.828 0.232 142 HB2 ALA 20 2HB ALA 20 3.953 -10.253 -1.123 143 HB3 ALA 20 3HB ALA 20 3.534 -11.478 0.099 144 HA PRO 21 HA PRO 21 4.260 -7.802 4.132 145 HB2 PRO 21 1HB PRO 21 2.535 -5.755 3.583 146 HB3 PRO 21 2HB PRO 21 4.276 -5.598 3.465 147 HG2 PRO 21 1HG PRO 21 2.286 -5.847 1.293 148 HG3 PRO 21 2HG PRO 21 3.940 -5.273 1.206 149 HD2 PRO 21 1HD PRO 21 2.968 -7.840 0.371 150 HD3 PRO 21 2HD PRO 21 4.637 -7.307 0.393 151 H GLU 22 H GLU 22 2.919 -8.106 5.884 152 HA GLU 22 HA GLU 22 0.534 -9.555 5.092 153 HB2 GLU 22 1HB GLU 22 2.447 -9.716 7.339 154 HB3 GLU 22 2HB GLU 22 0.776 -9.816 7.857 155 HG2 GLU 22 1HG GLU 22 0.673 -11.492 5.701 156 HG3 GLU 22 2HG GLU 22 2.354 -11.708 6.149 157 H HIS 23 H HIS 23 -1.233 -9.298 7.098 158 HA HIS 23 HA HIS 23 -2.937 -7.911 7.520 159 HB2 HIS 23 1HB HIS 23 -0.768 -7.631 9.299 160 HB3 HIS 23 2HB HIS 23 -1.394 -6.011 9.068 161 HD1 HIS 23 1HD HIS 23 -4.180 -5.873 9.380 162 HD2 HIS 23 2HD HIS 23 -2.133 -9.058 11.186 163 HE1 HIS 23 1HE HIS 23 -5.732 -6.787 11.188 164 HA PRO 24 HA PRO 24 -1.705 -4.647 4.536 165 HB2 PRO 24 1HB PRO 24 -2.994 -5.551 2.303 166 HB3 PRO 24 2HB PRO 24 -1.294 -5.841 2.611 167 HG2 PRO 24 1HG PRO 24 -3.566 -7.718 2.840 168 HG3 PRO 24 2HG PRO 24 -1.855 -8.076 2.726 169 HD2 PRO 24 1HD PRO 24 -3.472 -8.165 5.093 170 HD3 PRO 24 2HD PRO 24 -1.740 -8.409 4.998 171 H VAL 25 H VAL 25 -2.985 -3.499 6.139 172 HA VAL 25 HA VAL 25 -5.801 -3.407 5.379 173 HB VAL 25 HB VAL 25 -4.478 -2.040 7.714 174 HG11 VAL 25 1HG1 VAL 25 -7.160 -3.144 8.067 175 HG12 VAL 25 2HG1 VAL 25 -6.555 -1.494 8.350 176 HG13 VAL 25 3HG1 VAL 25 -7.077 -1.983 6.720 177 HG21 VAL 25 1HG2 VAL 25 -5.470 -4.905 7.561 178 HG22 VAL 25 2HG2 VAL 25 -3.809 -4.356 7.888 179 HG23 VAL 25 3HG2 VAL 25 -5.099 -4.039 9.072 180 H ALA 26 H ALA 26 -6.744 -1.624 4.433 181 HA ALA 26 HA ALA 26 -5.052 0.752 4.155 182 HB1 ALA 26 1HB ALA 26 -4.988 -0.802 2.116 183 HB2 ALA 26 2HB ALA 26 -6.707 -0.402 1.886 184 HB3 ALA 26 3HB ALA 26 -5.477 0.882 1.812 185 H THR 27 H THR 27 -6.129 2.379 5.147 186 HA THR 27 HA THR 27 -9.053 2.443 4.794 187 HB THR 27 HB THR 27 -8.706 3.671 7.195 188 HG1 THR 27 1HG THR 27 -6.765 2.987 8.064 189 HG21 THR 27 1HG2 THR 27 -9.242 1.570 8.307 190 HG22 THR 27 2HG2 THR 27 -10.060 1.535 6.726 191 HG23 THR 27 3HG2 THR 27 -8.550 0.624 6.967 192 H LEU 28 H LEU 28 -10.033 4.542 4.698 193 HA LEU 28 HA LEU 28 -8.659 6.302 3.074 194 HB2 LEU 28 1HB LEU 28 -11.224 6.159 4.444 195 HB3 LEU 28 2HB LEU 28 -10.626 7.803 4.337 196 HG LEU 28 HG LEU 28 -10.974 5.918 1.988 197 HD11 LEU 28 1HD1 LEU 28 -13.073 6.766 3.208 198 HD12 LEU 28 2HD1 LEU 28 -12.646 8.362 2.545 199 HD13 LEU 28 3HD1 LEU 28 -12.970 7.000 1.446 200 HD21 LEU 28 1HD2 LEU 28 -10.053 7.450 0.622 201 HD22 LEU 28 2HD2 LEU 28 -10.708 8.827 1.540 202 HD23 LEU 28 3HD2 LEU 28 -9.239 7.998 2.107 203 H SER 29 H SER 29 -8.693 8.854 3.889 204 HA SER 29 HA SER 29 -6.876 8.777 6.166 205 HB2 SER 29 1HB SER 29 -5.839 9.527 4.053 206 HB3 SER 29 2HB SER 29 -7.067 10.760 3.856 207 HG SER 29 HG SER 29 -5.413 10.672 6.216 208 H THR 30 H THR 30 -8.250 9.157 7.928 209 HA THR 30 HA THR 30 -10.366 11.086 7.738 210 HB THR 30 HB THR 30 -10.532 10.453 10.231 211 HG1 THR 30 1HG THR 30 -9.059 8.458 10.539 212 HG21 THR 30 1HG2 THR 30 -11.087 8.035 9.814 213 HG22 THR 30 2HG2 THR 30 -11.804 9.096 8.578 214 HG23 THR 30 3HG2 THR 30 -10.337 8.161 8.205 215 H VAL 31 H VAL 31 -8.349 12.560 6.882 216 HA VAL 31 HA VAL 31 -8.248 14.640 8.738 217 HB VAL 31 HB VAL 31 -6.343 12.624 9.235 218 HG11 VAL 31 1HG1 VAL 31 -5.034 15.136 8.136 219 HG12 VAL 31 2HG1 VAL 31 -4.206 13.785 8.948 220 HG13 VAL 31 3HG1 VAL 31 -5.002 13.526 7.377 221 HG21 VAL 31 1HG2 VAL 31 -5.566 14.204 10.982 222 HG22 VAL 31 2HG2 VAL 31 -6.540 15.488 10.226 223 HG23 VAL 31 3HG2 VAL 31 -7.339 14.060 10.926 224 H GLU 32 H GLU 32 -6.612 12.945 6.005 225 HA GLU 32 HA GLU 32 -6.145 15.533 4.796 226 HB2 GLU 32 1HB GLU 32 -4.777 12.999 4.778 227 HB3 GLU 32 2HB GLU 32 -5.249 13.362 3.129 228 HG2 GLU 32 1HG GLU 32 -3.775 15.103 2.959 229 HG3 GLU 32 2HG GLU 32 -4.182 15.728 4.545 230 H ARG 33 H ARG 33 -6.579 15.643 2.317 231 HA ARG 33 HA ARG 33 -9.202 14.460 1.908 232 HB2 ARG 33 1HB ARG 33 -7.909 16.980 0.760 233 HB3 ARG 33 2HB ARG 33 -9.426 16.342 0.158 234 HG2 ARG 33 1HG ARG 33 -10.079 17.963 1.774 235 HG3 ARG 33 2HG ARG 33 -10.274 16.431 2.603 236 HD2 ARG 33 1HD ARG 33 -8.946 17.292 4.243 237 HD3 ARG 33 2HD ARG 33 -7.603 17.077 3.139 238 HE ARG 33 HE ARG 33 -8.986 19.554 2.569 239 HH11 ARG 33 2HH2 ARG 33 -6.733 18.087 4.840 240 HH12 ARG 33 1HH2 ARG 33 -5.992 19.591 5.274 241 HH21 ARG 33 2HH1 ARG 33 -8.008 21.539 3.141 242 HH22 ARG 33 1HH1 ARG 33 -6.723 21.568 4.301 243 H ARG 34 H ARG 34 -9.458 12.987 0.235 244 HA ARG 34 HA ARG 34 -9.039 11.765 -1.496 245 HB2 ARG 34 1HB ARG 34 -7.585 14.290 -2.281 246 HB3 ARG 34 2HB ARG 34 -7.284 12.860 -3.248 247 HG2 ARG 34 1HG ARG 34 -9.326 12.983 -4.247 248 HG3 ARG 34 2HG ARG 34 -10.152 13.168 -2.712 249 HD2 ARG 34 1HD ARG 34 -10.399 15.404 -3.040 250 HD3 ARG 34 2HD ARG 34 -8.678 15.609 -3.298 251 HE ARG 34 HE ARG 34 -9.980 14.421 -5.617 252 HH11 ARG 34 2HH2 ARG 34 -9.343 17.470 -3.979 253 HH12 ARG 34 1HH2 ARG 34 -9.497 18.422 -5.418 254 HH21 ARG 34 2HH1 ARG 34 -10.184 15.676 -7.515 255 HH22 ARG 34 1HH1 ARG 34 -9.979 17.395 -7.443 256 H ALA 35 H ALA 35 -7.689 10.951 0.709 257 HA ALA 35 HA ALA 35 -5.251 9.875 -0.423 258 HB1 ALA 35 1HB ALA 35 -4.432 11.916 0.623 259 HB2 ALA 35 2HB ALA 35 -5.312 11.543 2.124 260 HB3 ALA 35 3HB ALA 35 -3.946 10.521 1.617 261 H ILE 36 H ILE 36 -4.457 8.008 0.871 262 HA ILE 36 HA ILE 36 -6.479 6.999 2.731 263 HB ILE 36 HB ILE 36 -5.285 5.417 0.451 264 HG12 ILE 36 1HG1 ILE 36 -8.189 6.178 0.756 265 HG13 ILE 36 2HG1 ILE 36 -7.058 7.221 -0.083 266 HG21 ILE 36 1HG2 ILE 36 -7.420 4.612 2.443 267 HG22 ILE 36 2HG2 ILE 36 -6.699 3.609 1.161 268 HG23 ILE 36 3HG2 ILE 36 -5.708 4.136 2.543 269 HD11 ILE 36 1HD1 ILE 36 -6.476 5.411 -1.651 270 HD12 ILE 36 2HD1 ILE 36 -7.523 4.280 -0.761 271 HD13 ILE 36 3HD1 ILE 36 -8.239 5.655 -1.635 272 H ASN 37 H ASN 37 -5.652 5.755 4.440 273 HA ASN 37 HA ASN 37 -2.799 6.053 4.726 274 HB2 ASN 37 1HB ASN 37 -5.059 6.149 6.497 275 HB3 ASN 37 2HB ASN 37 -4.108 4.764 6.996 276 HD21 ASN 37 1HD2 ASN 37 -4.520 8.042 7.264 277 HD22 ASN 37 2HD2 ASN 37 -2.988 8.511 7.920 278 H LEU 38 H LEU 38 -1.598 4.304 3.951 279 HA LEU 38 HA LEU 38 -2.836 1.673 3.968 280 HB2 LEU 38 1HB LEU 38 -1.384 2.978 2.094 281 HB3 LEU 38 2HB LEU 38 -0.113 2.068 2.887 282 HG LEU 38 HG LEU 38 -1.259 1.033 0.839 283 HD11 LEU 38 1HD1 LEU 38 -1.021 -1.225 1.714 284 HD12 LEU 38 2HD1 LEU 38 0.282 -0.175 2.321 285 HD13 LEU 38 3HD1 LEU 38 -1.081 -0.606 3.382 286 HD21 LEU 38 1HD2 LEU 38 -3.361 0.143 2.807 287 HD22 LEU 38 2HD2 LEU 38 -3.581 1.585 1.787 288 HD23 LEU 38 3HD2 LEU 38 -3.341 -0.009 1.033 289 H THR 39 H THR 39 -2.213 -0.002 5.288 290 HA THR 39 HA THR 39 0.208 0.347 6.880 291 HB THR 39 HB THR 39 -1.106 -0.139 8.964 292 HG1 THR 39 1HG THR 39 -3.492 0.008 8.599 293 HG21 THR 39 1HG2 THR 39 -2.026 2.022 9.278 294 HG22 THR 39 2HG2 THR 39 -0.857 2.315 7.968 295 HG23 THR 39 3HG2 THR 39 -2.587 2.129 7.593 296 H TRP 40 H TRP 40 1.383 -1.465 6.915 297 HA TRP 40 HA TRP 40 -0.054 -3.999 6.637 298 HB2 TRP 40 1HB TRP 40 1.537 -4.799 4.991 299 HB3 TRP 40 2HB TRP 40 0.629 -3.425 4.393 300 HD1 TRP 40 HD TRP 40 4.194 -4.518 5.117 301 HE1 TRP 40 1HE TRP 40 5.958 -2.695 4.390 302 HE3 TRP 40 3HE TRP 40 0.804 -0.829 4.250 303 HZ2 TRP 40 2HZ TRP 40 5.742 0.025 3.553 304 HZ3 TRP 40 3HZ TRP 40 1.664 1.381 3.480 305 HH2 TRP 40 HH TRP 40 4.039 1.837 3.131 306 H THR 41 H THR 41 1.872 -5.810 6.921 307 HA THR 41 HA THR 41 3.282 -4.956 9.356 308 HB THR 41 HB THR 41 2.178 -7.624 8.353 309 HG1 THR 41 1HG THR 41 1.071 -7.264 10.475 310 HG21 THR 41 1HG2 THR 41 2.967 -8.508 10.588 311 HG22 THR 41 2HG2 THR 41 4.317 -8.128 9.492 312 HG23 THR 41 3HG2 THR 41 3.900 -7.009 10.812 313 H LYS 42 H LYS 42 5.447 -5.793 9.755 314 HA LYS 42 HA LYS 42 7.000 -5.594 7.351 315 HB2 LYS 42 1HB LYS 42 7.508 -4.548 9.644 316 HB3 LYS 42 2HB LYS 42 8.028 -6.146 10.138 317 HG2 LYS 42 1HG LYS 42 9.143 -5.357 7.516 318 HG3 LYS 42 2HG LYS 42 9.594 -4.249 8.797 319 HD2 LYS 42 1HD LYS 42 10.522 -6.067 10.145 320 HD3 LYS 42 2HD LYS 42 9.886 -7.276 9.047 321 HE2 LYS 42 1HE LYS 42 11.441 -6.721 7.327 322 HE3 LYS 42 2HE LYS 42 11.789 -5.147 8.015 323 HZ1 LYS 42 1HZ LYS 42 12.514 -7.717 9.244 324 HZ2 LYS 42 2HZ LYS 42 13.539 -6.725 8.449 325 HZ3 LYS 42 3HZ LYS 42 12.862 -6.243 9.854 326 HA PRO 43 HA PRO 43 6.941 -9.951 6.883 327 HB2 PRO 43 1HB PRO 43 7.975 -10.014 4.354 328 HB3 PRO 43 2HB PRO 43 6.265 -9.824 4.686 329 HG2 PRO 43 1HG PRO 43 8.220 -7.788 3.807 330 HG3 PRO 43 2HG PRO 43 6.470 -7.733 3.734 331 HD2 PRO 43 1HD PRO 43 8.153 -6.379 5.622 332 HD3 PRO 43 2HD PRO 43 6.401 -6.418 5.619 333 H PHE 44 H PHE 44 8.586 -11.697 6.085 334 HA PHE 44 HA PHE 44 10.844 -11.266 7.740 335 HB2 PHE 44 1HB PHE 44 9.679 -13.470 7.300 336 HB3 PHE 44 2HB PHE 44 10.114 -13.361 5.606 337 HD1 PHE 44 1HD PHE 44 12.761 -12.116 7.576 338 HD2 PHE 44 2HD PHE 44 10.973 -15.738 6.275 339 HE1 PHE 44 1HE PHE 44 14.901 -13.342 8.046 340 HE2 PHE 44 2HE PHE 44 13.113 -16.963 6.744 341 HZ PHE 44 HZ PHE 44 15.051 -15.750 7.624 342 H ASP 45 H ASP 45 12.245 -9.649 7.050 343 HA ASP 45 HA ASP 45 12.812 -8.805 4.630 344 HB2 ASP 45 1HB ASP 45 15.173 -8.367 5.446 345 HB3 ASP 45 2HB ASP 45 13.917 -7.844 6.551 346 H GLY 46 H GLY 46 14.204 -11.741 6.235 347 HA2 GLY 46 1HA GLY 46 14.507 -13.694 4.824 348 HA3 GLY 46 2HA GLY 46 15.171 -12.644 3.588 349 H ASN 47 H ASN 47 16.809 -10.925 5.207 350 HA ASN 47 HA ASN 47 18.360 -12.028 7.073 351 HB2 ASN 47 1HB ASN 47 18.779 -13.461 4.611 352 HB3 ASN 47 2HB ASN 47 20.215 -12.492 4.874 353 HD21 ASN 47 1HD2 ASN 47 19.113 -15.435 5.273 354 HD22 ASN 47 2HD2 ASN 47 19.856 -15.936 6.755 355 H SER 48 H SER 48 18.106 -10.265 3.989 356 HA SER 48 HA SER 48 20.261 -8.503 4.814 357 HB2 SER 48 1HB SER 48 19.679 -9.601 2.350 358 HB3 SER 48 2HB SER 48 18.914 -8.032 2.202 359 HG SER 48 HG SER 48 21.115 -7.922 1.507 360 HA PRO 49 HA PRO 49 17.440 -5.315 5.711 361 HB2 PRO 49 1HB PRO 49 18.820 -3.048 5.058 362 HB3 PRO 49 2HB PRO 49 19.092 -3.942 6.541 363 HG2 PRO 49 1HG PRO 49 20.760 -3.845 4.102 364 HG3 PRO 49 2HG PRO 49 21.203 -4.369 5.715 365 HD2 PRO 49 1HD PRO 49 20.634 -6.049 3.461 366 HD3 PRO 49 2HD PRO 49 20.963 -6.572 5.101 367 H LEU 50 H LEU 50 15.518 -4.952 4.820 368 HA LEU 50 HA LEU 50 15.000 -5.114 2.196 369 HB2 LEU 50 1HB LEU 50 13.689 -3.332 4.250 370 HB3 LEU 50 2HB LEU 50 13.020 -3.653 2.663 371 HG LEU 50 HG LEU 50 13.659 -5.883 4.597 372 HD11 LEU 50 1HD1 LEU 50 10.989 -5.680 4.842 373 HD12 LEU 50 2HD1 LEU 50 12.140 -4.907 5.958 374 HD13 LEU 50 3HD1 LEU 50 11.401 -3.959 4.646 375 HD21 LEU 50 1HD2 LEU 50 11.439 -6.030 2.628 376 HD22 LEU 50 2HD2 LEU 50 13.098 -6.055 1.982 377 HD23 LEU 50 3HD2 LEU 50 12.588 -7.277 3.170 378 H ILE 51 H ILE 51 14.666 -3.603 0.432 379 HA ILE 51 HA ILE 51 16.529 -1.351 0.637 380 HB ILE 51 HB ILE 51 15.689 -3.173 -1.579 381 HG12 ILE 51 1HG1 ILE 51 18.358 -2.118 -0.601 382 HG13 ILE 51 2HG1 ILE 51 17.698 -3.714 -0.305 383 HG21 ILE 51 1HG2 ILE 51 16.536 -0.301 -1.859 384 HG22 ILE 51 2HG2 ILE 51 16.963 -1.506 -3.098 385 HG23 ILE 51 3HG2 ILE 51 15.254 -1.195 -2.711 386 HD11 ILE 51 1HD1 ILE 51 17.549 -3.920 -2.910 387 HD12 ILE 51 2HD1 ILE 51 18.663 -2.532 -2.927 388 HD13 ILE 51 3HD1 ILE 51 19.150 -4.055 -2.143 389 H ARG 52 H ARG 52 13.373 -2.286 -0.908 390 HA ARG 52 HA ARG 52 12.202 0.086 0.058 391 HB2 ARG 52 1HB ARG 52 11.840 1.278 -1.995 392 HB3 ARG 52 2HB ARG 52 13.540 0.855 -2.012 393 HG2 ARG 52 1HG ARG 52 13.043 -1.131 -3.440 394 HG3 ARG 52 2HG ARG 52 11.335 -0.741 -3.403 395 HD2 ARG 52 1HD ARG 52 11.986 0.247 -5.432 396 HD3 ARG 52 2HD ARG 52 12.100 1.612 -4.339 397 HE ARG 52 HE ARG 52 14.620 0.335 -4.265 398 HH11 ARG 52 2HH2 ARG 52 12.609 1.969 -6.645 399 HH12 ARG 52 1HH2 ARG 52 13.952 2.514 -7.594 400 HH21 ARG 52 2HH1 ARG 52 16.392 1.054 -5.516 401 HH22 ARG 52 1HH1 ARG 52 16.118 1.990 -6.947 402 H TYR 53 H TYR 53 9.920 0.312 -1.437 403 HA TYR 53 HA TYR 53 8.958 -2.408 -1.926 404 HB2 TYR 53 1HB TYR 53 8.091 -0.277 0.072 405 HB3 TYR 53 2HB TYR 53 6.829 -1.252 -0.655 406 HD1 TYR 53 1HD TYR 53 10.142 -1.690 1.060 407 HD2 TYR 53 2HD TYR 53 6.193 -3.209 0.424 408 HE1 TYR 53 1HE TYR 53 10.563 -3.521 2.773 409 HE2 TYR 53 2HE TYR 53 6.628 -5.036 2.139 410 HH TYR 53 HH TYR 53 7.974 -5.732 3.721 411 H ILE 54 H ILE 54 7.504 -2.563 -3.617 412 HA ILE 54 HA ILE 54 6.914 -0.026 -4.954 413 HB ILE 54 HB ILE 54 6.858 -2.829 -6.072 414 HG12 ILE 54 1HG1 ILE 54 9.107 -2.596 -5.626 415 HG13 ILE 54 2HG1 ILE 54 9.002 -1.933 -7.244 416 HG21 ILE 54 1HG2 ILE 54 7.056 -0.271 -7.645 417 HG22 ILE 54 2HG2 ILE 54 6.541 -1.890 -8.175 418 HG23 ILE 54 3HG2 ILE 54 5.479 -0.916 -7.131 419 HD11 ILE 54 1HD1 ILE 54 9.464 -0.521 -4.635 420 HD12 ILE 54 2HD1 ILE 54 10.194 -0.224 -6.231 421 HD13 ILE 54 3HD1 ILE 54 8.545 0.351 -5.884 422 H LEU 55 H LEU 55 5.021 0.750 -4.101 423 HA LEU 55 HA LEU 55 2.892 -1.120 -3.526 424 HB2 LEU 55 1HB LEU 55 3.544 0.789 -2.037 425 HB3 LEU 55 2HB LEU 55 2.938 1.887 -3.261 426 HG LEU 55 HG LEU 55 1.486 0.250 -1.289 427 HD11 LEU 55 1HD1 LEU 55 0.056 2.425 -2.605 428 HD12 LEU 55 2HD1 LEU 55 0.473 2.193 -0.890 429 HD13 LEU 55 3HD1 LEU 55 1.655 2.922 -2.003 430 HD21 LEU 55 1HD2 LEU 55 -0.487 -0.135 -2.642 431 HD22 LEU 55 2HD2 LEU 55 0.326 0.542 -4.074 432 HD23 LEU 55 3HD2 LEU 55 0.912 -0.976 -3.353 433 H GLU 56 H GLU 56 1.551 -1.811 -5.096 434 HA GLU 56 HA GLU 56 1.190 -0.016 -7.359 435 HB2 GLU 56 1HB GLU 56 1.234 -3.002 -7.045 436 HB3 GLU 56 2HB GLU 56 0.165 -2.349 -8.270 437 HG2 GLU 56 1HG GLU 56 2.022 -1.168 -9.355 438 HG3 GLU 56 2HG GLU 56 3.115 -1.593 -8.053 439 H MET 57 H MET 57 -0.818 0.850 -7.797 440 HA MET 57 HA MET 57 -2.943 -0.027 -6.010 441 HB2 MET 57 1HB MET 57 -2.551 2.324 -5.727 442 HB3 MET 57 2HB MET 57 -2.263 2.577 -7.437 443 HG2 MET 57 1HG MET 57 -4.688 2.104 -7.904 444 HG3 MET 57 2HG MET 57 -4.968 1.886 -6.188 445 HE1 MET 57 1HE MET 57 -3.266 5.506 -8.223 446 HE2 MET 57 2HE MET 57 -3.589 3.885 -8.883 447 HE3 MET 57 3HE MET 57 -4.871 5.119 -8.887 448 H SER 58 H SER 58 -5.037 -0.538 -6.823 449 HA SER 58 HA SER 58 -5.136 -0.729 -9.732 450 HB2 SER 58 1HB SER 58 -4.962 -2.984 -9.181 451 HB3 SER 58 2HB SER 58 -5.723 -2.778 -7.616 452 HG SER 58 HG SER 58 -7.146 -2.545 -10.127 453 H GLU 59 H GLU 59 -6.425 1.114 -10.087 454 HA GLU 59 HA GLU 59 -8.468 1.913 -8.427 455 HB2 GLU 59 1HB GLU 59 -7.235 3.039 -10.520 456 HB3 GLU 59 2HB GLU 59 -8.632 2.438 -11.391 457 HG2 GLU 59 1HG GLU 59 -9.954 3.541 -9.317 458 HG3 GLU 59 2HG GLU 59 -8.502 4.515 -9.209 459 H ASN 60 H ASN 60 -10.610 2.241 -10.527 460 HA ASN 60 HA ASN 60 -12.048 -0.055 -9.853 461 HB2 ASN 60 1HB ASN 60 -12.477 2.371 -11.593 462 HB3 ASN 60 2HB ASN 60 -13.529 1.001 -11.886 463 HD21 ASN 60 1HD2 ASN 60 -13.531 3.807 -10.458 464 HD22 ASN 60 2HD2 ASN 60 -14.471 3.531 -9.029 465 H ASN 61 H ASN 61 -11.099 -1.980 -10.712 466 HA ASN 61 HA ASN 61 -10.704 -3.530 -12.178 467 HB2 ASN 61 1HB ASN 61 -12.527 -1.738 -13.683 468 HB3 ASN 61 2HB ASN 61 -11.466 -2.648 -14.740 469 HD21 ASN 61 1HD2 ASN 61 -13.062 -3.932 -15.557 470 HD22 ASN 61 2HD2 ASN 61 -13.858 -5.183 -14.662 471 H ALA 62 H ALA 62 -9.143 -0.738 -11.918 472 HA ALA 62 HA ALA 62 -7.733 -0.538 -14.390 473 HB1 ALA 62 1HB ALA 62 -7.791 1.487 -13.280 474 HB2 ALA 62 2HB ALA 62 -7.661 0.734 -11.673 475 HB3 ALA 62 3HB ALA 62 -6.219 0.879 -12.706 476 HA PRO 63 HA PRO 63 -4.710 -3.529 -13.589 477 HB2 PRO 63 1HB PRO 63 -2.726 -2.718 -15.286 478 HB3 PRO 63 2HB PRO 63 -4.124 -3.633 -15.814 479 HG2 PRO 63 1HG PRO 63 -3.543 -0.758 -16.185 480 HG3 PRO 63 2HG PRO 63 -4.689 -1.766 -17.046 481 HD2 PRO 63 1HD PRO 63 -5.289 0.146 -14.993 482 HD3 PRO 63 2HD PRO 63 -6.418 -0.944 -15.773 483 H TRP 64 H TRP 64 -3.021 -4.073 -12.252 484 HA TRP 64 HA TRP 64 -2.377 -2.349 -10.276 485 HB2 TRP 64 1HB TRP 64 -0.613 -4.510 -11.443 486 HB3 TRP 64 2HB TRP 64 -0.401 -3.762 -9.873 487 HD1 TRP 64 HD TRP 64 -1.936 -6.754 -11.328 488 HE1 TRP 64 1HE TRP 64 -3.675 -7.952 -9.746 489 HE3 TRP 64 3HE TRP 64 -2.443 -2.876 -8.078 490 HZ2 TRP 64 2HZ TRP 64 -5.038 -7.161 -7.366 491 HZ3 TRP 64 3HZ TRP 64 -3.998 -3.171 -6.152 492 HH2 TRP 64 HH TRP 64 -5.271 -5.222 -5.770 493 H THR 65 H THR 65 -1.651 -0.268 -10.512 494 HA THR 65 HA THR 65 0.448 0.190 -12.526 495 HB THR 65 HB THR 65 -1.971 1.352 -12.485 496 HG1 THR 65 1HG THR 65 -0.825 2.954 -13.664 497 HG21 THR 65 1HG2 THR 65 -1.558 2.230 -10.085 498 HG22 THR 65 2HG2 THR 65 -0.285 3.255 -10.790 499 HG23 THR 65 3HG2 THR 65 -1.978 3.463 -11.297 500 H VAL 66 H VAL 66 2.461 0.555 -11.852 501 HA VAL 66 HA VAL 66 3.159 0.470 -9.181 502 HB VAL 66 HB VAL 66 4.596 1.604 -11.586 503 HG11 VAL 66 1HG1 VAL 66 5.821 2.539 -9.855 504 HG12 VAL 66 2HG1 VAL 66 5.485 1.190 -8.743 505 HG13 VAL 66 3HG1 VAL 66 6.647 0.978 -10.075 506 HG21 VAL 66 1HG2 VAL 66 5.300 -1.010 -10.320 507 HG22 VAL 66 2HG2 VAL 66 3.821 -0.932 -11.307 508 HG23 VAL 66 3HG2 VAL 66 5.392 -0.498 -12.022 509 H LEU 67 H LEU 67 2.215 1.857 -7.725 510 HA LEU 67 HA LEU 67 1.887 4.628 -8.417 511 HB2 LEU 67 1HB LEU 67 0.735 2.776 -6.607 512 HB3 LEU 67 2HB LEU 67 1.436 4.062 -5.644 513 HG LEU 67 HG LEU 67 -0.764 4.209 -7.688 514 HD11 LEU 67 1HD1 LEU 67 -1.960 4.229 -5.814 515 HD12 LEU 67 2HD1 LEU 67 -0.508 4.434 -4.803 516 HD13 LEU 67 3HD1 LEU 67 -1.310 5.858 -5.509 517 HD21 LEU 67 1HD2 LEU 67 0.014 6.120 -8.518 518 HD22 LEU 67 2HD2 LEU 67 -0.290 6.843 -6.921 519 HD23 LEU 67 3HD2 LEU 67 1.322 6.198 -7.313 520 H LEU 68 H LEU 68 3.538 2.934 -5.652 521 HA LEU 68 HA LEU 68 5.473 5.140 -5.687 522 HB2 LEU 68 1HB LEU 68 3.893 4.143 -3.631 523 HB3 LEU 68 2HB LEU 68 5.469 3.441 -3.324 524 HG LEU 68 HG LEU 68 4.911 6.401 -3.672 525 HD11 LEU 68 1HD1 LEU 68 5.708 6.249 -1.143 526 HD12 LEU 68 2HD1 LEU 68 4.002 6.050 -1.612 527 HD13 LEU 68 3HD1 LEU 68 5.007 4.618 -1.282 528 HD21 LEU 68 1HD2 LEU 68 7.318 6.321 -2.491 529 HD22 LEU 68 2HD2 LEU 68 7.412 4.816 -3.436 530 HD23 LEU 68 3HD2 LEU 68 7.098 6.363 -4.257 531 H ALA 69 H ALA 69 7.286 4.622 -6.787 532 HA ALA 69 HA ALA 69 8.045 1.835 -6.985 533 HB1 ALA 69 1HB ALA 69 8.055 3.800 -8.800 534 HB2 ALA 69 2HB ALA 69 9.677 4.081 -8.122 535 HB3 ALA 69 3HB ALA 69 9.268 2.498 -8.826 536 H SER 70 H SER 70 8.993 4.854 -5.343 537 HA SER 70 HA SER 70 11.191 3.357 -4.147 538 HB2 SER 70 1HB SER 70 11.476 5.652 -5.516 539 HB3 SER 70 2HB SER 70 11.041 6.359 -3.973 540 HG SER 70 HG SER 70 13.410 5.950 -4.420 541 H VAL 71 H VAL 71 10.372 2.501 -2.245 542 HA VAL 71 HA VAL 71 8.986 4.402 -0.484 543 HB VAL 71 HB VAL 71 8.409 1.496 -1.053 544 HG11 VAL 71 1HG1 VAL 71 6.590 1.879 0.765 545 HG12 VAL 71 2HG1 VAL 71 8.253 1.502 1.275 546 HG13 VAL 71 3HG1 VAL 71 7.663 3.181 1.333 547 HG21 VAL 71 1HG2 VAL 71 6.923 4.093 -1.408 548 HG22 VAL 71 2HG2 VAL 71 7.197 2.777 -2.575 549 HG23 VAL 71 3HG2 VAL 71 6.039 2.557 -1.242 550 H ASP 72 H ASP 72 9.376 4.079 1.822 551 HA ASP 72 HA ASP 72 12.063 3.510 2.301 552 HB2 ASP 72 1HB ASP 72 9.818 4.639 3.700 553 HB3 ASP 72 2HB ASP 72 10.481 3.388 4.732 554 HA PRO 73 HA PRO 73 11.642 -0.778 3.165 555 HB2 PRO 73 1HB PRO 73 14.031 -1.255 4.402 556 HB3 PRO 73 2HB PRO 73 13.853 -1.176 2.661 557 HG2 PRO 73 1HG PRO 73 15.024 0.823 4.497 558 HG3 PRO 73 2HG PRO 73 15.213 0.684 2.760 559 HD2 PRO 73 1HD PRO 73 13.557 2.561 4.162 560 HD3 PRO 73 2HD PRO 73 13.659 2.345 2.426 561 H LYS 74 H LYS 74 12.554 1.352 5.779 562 HA LYS 74 HA LYS 74 11.485 -0.575 7.674 563 HB2 LYS 74 1HB LYS 74 12.790 2.116 8.171 564 HB3 LYS 74 2HB LYS 74 12.411 0.899 9.373 565 HG2 LYS 74 1HG LYS 74 13.880 -0.596 7.575 566 HG3 LYS 74 2HG LYS 74 14.636 0.974 7.388 567 HD2 LYS 74 1HD LYS 74 14.258 -0.534 10.018 568 HD3 LYS 74 2HD LYS 74 15.771 -0.326 9.160 569 HE2 LYS 74 1HE LYS 74 14.303 2.206 9.774 570 HE3 LYS 74 2HE LYS 74 14.904 1.337 11.172 571 HZ1 LYS 74 1HZ LYS 74 16.850 1.400 9.150 572 HZ2 LYS 74 2HZ LYS 74 16.349 2.919 9.481 573 HZ3 LYS 74 3HZ LYS 74 16.938 1.974 10.676 574 H ALA 75 H ALA 75 9.690 0.578 5.678 575 HA ALA 75 HA ALA 75 7.985 2.144 7.493 576 HB1 ALA 75 1HB ALA 75 8.550 3.683 5.827 577 HB2 ALA 75 2HB ALA 75 8.614 2.439 4.555 578 HB3 ALA 75 3HB ALA 75 7.042 2.982 5.190 579 H THR 76 H THR 76 6.089 1.171 8.019 580 HA THR 76 HA THR 76 5.235 -1.061 6.294 581 HB THR 76 HB THR 76 4.196 -1.875 8.519 582 HG1 THR 76 1HG THR 76 4.998 -0.709 10.357 583 HG21 THR 76 1HG2 THR 76 6.688 -2.395 7.544 584 HG22 THR 76 2HG2 THR 76 7.140 -1.535 9.036 585 HG23 THR 76 3HG2 THR 76 6.142 -3.006 9.124 586 H SER 77 H SER 77 4.666 2.019 6.367 587 HA SER 77 HA SER 77 1.892 1.628 5.823 588 HB2 SER 77 1HB SER 77 1.338 3.706 7.314 589 HB3 SER 77 2HB SER 77 1.468 2.132 8.073 590 HG SER 77 HG SER 77 2.676 3.605 9.314 591 H VAL 78 H VAL 78 1.018 3.384 4.505 592 HA VAL 78 HA VAL 78 2.822 5.563 3.882 593 HB VAL 78 HB VAL 78 3.433 3.583 2.439 594 HG11 VAL 78 1HG1 VAL 78 0.579 3.966 1.608 595 HG12 VAL 78 2HG1 VAL 78 1.772 3.485 0.378 596 HG13 VAL 78 3HG1 VAL 78 1.519 2.469 1.817 597 HG21 VAL 78 1HG2 VAL 78 3.196 6.325 1.836 598 HG22 VAL 78 2HG2 VAL 78 4.249 5.125 1.048 599 HG23 VAL 78 3HG2 VAL 78 2.631 5.459 0.387 600 H THR 79 H THR 79 1.721 7.289 2.669 601 HA THR 79 HA THR 79 -1.208 7.054 2.909 602 HB THR 79 HB THR 79 0.682 9.405 3.439 603 HG1 THR 79 1HG THR 79 0.268 7.568 5.026 604 HG21 THR 79 1HG2 THR 79 -1.172 10.802 3.739 605 HG22 THR 79 2HG2 THR 79 -1.790 9.795 2.407 606 HG23 THR 79 3HG2 THR 79 -2.265 9.440 4.085 607 H VAL 80 H VAL 80 -2.064 6.765 0.945 608 HA VAL 80 HA VAL 80 -0.702 7.716 -1.378 609 HB VAL 80 HB VAL 80 -3.397 6.428 -0.917 610 HG11 VAL 80 1HG1 VAL 80 -3.116 5.946 -3.470 611 HG12 VAL 80 2HG1 VAL 80 -3.756 7.519 -2.937 612 HG13 VAL 80 3HG1 VAL 80 -2.055 7.375 -3.440 613 HG21 VAL 80 1HG2 VAL 80 -2.252 4.520 -0.795 614 HG22 VAL 80 2HG2 VAL 80 -1.612 4.806 -2.431 615 HG23 VAL 80 3HG2 VAL 80 -0.721 5.403 -1.010 616 H LYS 81 H LYS 81 -1.417 9.355 -2.847 617 HA LYS 81 HA LYS 81 -3.528 11.098 -1.849 618 HB2 LYS 81 1HB LYS 81 -0.702 12.021 -2.444 619 HB3 LYS 81 2HB LYS 81 -2.072 13.091 -2.225 620 HG2 LYS 81 1HG LYS 81 -2.354 12.459 0.069 621 HG3 LYS 81 2HG LYS 81 -1.379 11.015 -0.115 622 HD2 LYS 81 1HD LYS 81 0.333 13.142 -0.884 623 HD3 LYS 81 2HD LYS 81 -0.532 13.750 0.513 624 HE2 LYS 81 1HE LYS 81 1.008 12.605 1.750 625 HE3 LYS 81 2HE LYS 81 0.081 11.176 1.339 626 HZ1 LYS 81 1HZ LYS 81 2.428 12.212 -0.084 627 HZ2 LYS 81 2HZ LYS 81 2.309 10.805 0.737 628 HZ3 LYS 81 3HZ LYS 81 1.494 11.004 -0.664 629 H GLY 82 H GLY 82 -3.613 13.042 -3.685 630 HA2 GLY 82 1HA GLY 82 -4.268 13.494 -5.785 631 HA3 GLY 82 2HA GLY 82 -2.955 12.462 -6.316 632 H LEU 83 H LEU 83 -6.049 11.803 -4.516 633 HA LEU 83 HA LEU 83 -6.594 9.740 -6.532 634 HB2 LEU 83 1HB LEU 83 -7.533 9.944 -3.667 635 HB3 LEU 83 2HB LEU 83 -7.964 8.675 -4.796 636 HG LEU 83 HG LEU 83 -5.265 9.233 -3.560 637 HD11 LEU 83 1HD1 LEU 83 -5.744 7.564 -2.176 638 HD12 LEU 83 2HD1 LEU 83 -7.404 7.586 -2.817 639 HD13 LEU 83 3HD1 LEU 83 -6.192 6.492 -3.524 640 HD21 LEU 83 1HD2 LEU 83 -4.492 7.234 -4.941 641 HD22 LEU 83 2HD2 LEU 83 -5.918 7.528 -5.965 642 HD23 LEU 83 3HD2 LEU 83 -4.671 8.787 -5.792 643 H VAL 84 H VAL 84 -9.141 9.320 -6.621 644 HA VAL 84 HA VAL 84 -10.366 11.977 -6.912 645 HB VAL 84 HB VAL 84 -10.514 9.492 -8.610 646 HG11 VAL 84 1HG1 VAL 84 -12.815 10.394 -8.147 647 HG12 VAL 84 2HG1 VAL 84 -12.303 11.925 -8.897 648 HG13 VAL 84 3HG1 VAL 84 -12.337 10.429 -9.861 649 HG21 VAL 84 1HG2 VAL 84 -8.815 10.716 -9.521 650 HG22 VAL 84 2HG2 VAL 84 -10.183 11.505 -10.343 651 HG23 VAL 84 3HG2 VAL 84 -9.448 12.263 -8.910 652 HA PRO 85 HA PRO 85 -13.298 10.446 -4.111 653 HB2 PRO 85 1HB PRO 85 -15.156 12.442 -4.294 654 HB3 PRO 85 2HB PRO 85 -13.719 12.559 -3.299 655 HG2 PRO 85 1HG PRO 85 -14.287 13.854 -5.895 656 HG3 PRO 85 2HG PRO 85 -13.076 14.275 -4.701 657 HD2 PRO 85 1HD PRO 85 -12.638 12.892 -7.175 658 HD3 PRO 85 2HD PRO 85 -11.449 13.211 -5.928 659 H ALA 86 H ALA 86 -14.974 9.027 -4.016 660 HA ALA 86 HA ALA 86 -16.765 7.923 -4.749 661 HB1 ALA 86 1HB ALA 86 -17.255 9.255 -7.301 662 HB2 ALA 86 2HB ALA 86 -18.302 9.130 -5.867 663 HB3 ALA 86 3HB ALA 86 -17.087 10.427 -5.972 664 H ARG 87 H ARG 87 -14.137 7.054 -5.194 665 HA ARG 87 HA ARG 87 -14.615 5.459 -7.527 666 HB2 ARG 87 1HB ARG 87 -12.351 7.443 -7.269 667 HB3 ARG 87 2HB ARG 87 -12.003 5.912 -8.048 668 HG2 ARG 87 1HG ARG 87 -14.150 6.381 -9.479 669 HG3 ARG 87 2HG ARG 87 -14.017 8.027 -8.894 670 HD2 ARG 87 1HD ARG 87 -11.509 7.869 -9.697 671 HD3 ARG 87 2HD ARG 87 -12.052 6.483 -10.622 672 HE ARG 87 HE ARG 87 -13.930 8.389 -11.273 673 HH11 ARG 87 2HH2 ARG 87 -10.411 8.394 -11.286 674 HH12 ARG 87 1HH2 ARG 87 -10.290 9.532 -12.586 675 HH21 ARG 87 2HH1 ARG 87 -13.771 9.890 -12.989 676 HH22 ARG 87 1HH1 ARG 87 -12.214 10.388 -13.562 677 H SER 88 H SER 88 -13.624 3.377 -7.350 678 HA SER 88 HA SER 88 -12.740 2.768 -4.714 679 HB2 SER 88 1HB SER 88 -13.123 1.067 -7.213 680 HB3 SER 88 2HB SER 88 -12.607 0.404 -5.675 681 HG SER 88 HG SER 88 -15.085 1.820 -6.182 682 H TYR 89 H TYR 89 -10.642 2.040 -4.090 683 HA TYR 89 HA TYR 89 -8.594 2.068 -6.180 684 HB2 TYR 89 1HB TYR 89 -8.843 3.660 -3.569 685 HB3 TYR 89 2HB TYR 89 -7.260 3.342 -4.250 686 HD1 TYR 89 1HD TYR 89 -7.121 3.937 -6.900 687 HD2 TYR 89 2HD TYR 89 -9.816 5.698 -4.082 688 HE1 TYR 89 1HE TYR 89 -7.362 5.979 -8.395 689 HE2 TYR 89 2HE TYR 89 -10.048 7.734 -5.587 690 HH TYR 89 HH TYR 89 -8.019 8.132 -8.406 691 H GLN 90 H GLN 90 -6.945 0.576 -5.869 692 HA GLN 90 HA GLN 90 -7.196 -0.973 -3.408 693 HB2 GLN 90 1HB GLN 90 -6.820 -1.782 -6.274 694 HB3 GLN 90 2HB GLN 90 -5.980 -2.736 -5.067 695 HG2 GLN 90 1HG GLN 90 -8.178 -3.005 -3.826 696 HG3 GLN 90 2HG GLN 90 -8.980 -2.164 -5.137 697 HE21 GLN 90 1HE2 GLN 90 -9.604 -4.752 -4.333 698 HE22 GLN 90 2HE2 GLN 90 -9.229 -5.873 -5.599 699 H PHE 91 H PHE 91 -5.067 -2.139 -2.794 700 HA PHE 91 HA PHE 91 -2.705 -0.738 -3.722 701 HB2 PHE 91 1HB PHE 91 -3.803 -0.832 -0.851 702 HB3 PHE 91 2HB PHE 91 -2.140 -0.400 -1.198 703 HD1 PHE 91 1HD PHE 91 -2.611 1.247 -3.683 704 HD2 PHE 91 2HD PHE 91 -4.610 1.176 0.059 705 HE1 PHE 91 1HE PHE 91 -3.300 3.639 -4.006 706 HE2 PHE 91 2HE PHE 91 -5.299 3.568 -0.263 707 HZ PHE 91 HZ PHE 91 -4.635 4.771 -2.292 708 H ARG 92 H ARG 92 -0.815 -1.979 -3.536 709 HA ARG 92 HA ARG 92 -0.756 -4.218 -1.830 710 HB2 ARG 92 1HB ARG 92 -0.381 -5.868 -3.809 711 HB3 ARG 92 2HB ARG 92 -2.035 -5.409 -3.454 712 HG2 ARG 92 1HG ARG 92 -2.136 -3.884 -5.301 713 HG3 ARG 92 2HG ARG 92 -0.393 -3.846 -5.480 714 HD2 ARG 92 1HD ARG 92 -1.008 -6.573 -5.775 715 HD3 ARG 92 2HD ARG 92 -2.343 -5.772 -6.579 716 HE ARG 92 HE ARG 92 -0.159 -4.403 -7.557 717 HH11 ARG 92 2HH2 ARG 92 -0.947 -7.826 -7.342 718 HH12 ARG 92 1HH2 ARG 92 -0.035 -8.255 -8.750 719 HH21 ARG 92 2HH1 ARG 92 1.046 -4.969 -9.415 720 HH22 ARG 92 1HH1 ARG 92 1.107 -6.620 -9.937 721 H LEU 93 H LEU 93 1.299 -3.655 -1.096 722 HA LEU 93 HA LEU 93 3.317 -3.077 -3.138 723 HB2 LEU 93 1HB LEU 93 4.585 -2.055 -1.326 724 HB3 LEU 93 2HB LEU 93 3.016 -1.309 -1.554 725 HG LEU 93 HG LEU 93 3.259 -3.451 0.520 726 HD11 LEU 93 1HD1 LEU 93 3.833 -0.818 1.624 727 HD12 LEU 93 2HD1 LEU 93 4.639 -2.381 1.900 728 HD13 LEU 93 3HD1 LEU 93 5.102 -1.374 0.507 729 HD21 LEU 93 1HD2 LEU 93 1.852 -1.116 1.365 730 HD22 LEU 93 2HD2 LEU 93 1.322 -1.529 -0.284 731 HD23 LEU 93 3HD2 LEU 93 1.219 -2.743 1.014 732 H CYS 94 H CYS 94 5.467 -4.062 -2.896 733 HA CYS 94 HA CYS 94 5.278 -6.633 -1.500 734 HB2 CYS 94 1HB CYS 94 6.751 -7.565 -3.283 735 HB3 CYS 94 2HB CYS 94 5.165 -7.090 -3.855 736 HG CYS 94 HG CYS 94 7.105 -4.585 -3.816 737 H ALA 95 H ALA 95 7.671 -7.513 -1.138 738 HA ALA 95 HA ALA 95 9.175 -5.266 -0.023 739 HB1 ALA 95 1HB ALA 95 8.480 -7.066 1.514 740 HB2 ALA 95 2HB ALA 95 9.316 -8.264 0.497 741 HB3 ALA 95 3HB ALA 95 10.252 -7.015 1.353 742 H VAL 96 H VAL 96 10.957 -4.544 -1.068 743 HA VAL 96 HA VAL 96 12.221 -6.416 -2.950 744 HB VAL 96 HB VAL 96 11.863 -3.418 -3.069 745 HG11 VAL 96 1HG1 VAL 96 13.825 -5.197 -4.399 746 HG12 VAL 96 2HG1 VAL 96 12.964 -4.064 -5.469 747 HG13 VAL 96 3HG1 VAL 96 13.889 -3.448 -4.078 748 HG21 VAL 96 1HG2 VAL 96 10.948 -5.581 -4.992 749 HG22 VAL 96 2HG2 VAL 96 9.920 -4.835 -3.746 750 HG23 VAL 96 3HG2 VAL 96 10.577 -3.842 -5.069 751 H ASN 97 H ASN 97 14.377 -6.846 -2.676 752 HA ASN 97 HA ASN 97 15.846 -5.057 -0.940 753 HB2 ASN 97 1HB ASN 97 16.809 -7.022 0.301 754 HB3 ASN 97 2HB ASN 97 15.082 -6.868 0.557 755 HD21 ASN 97 1HD2 ASN 97 16.412 -9.220 1.011 756 HD22 ASN 97 2HD2 ASN 97 15.932 -10.430 -0.131 757 H ASP 98 H ASP 98 18.318 -5.744 -1.038 758 HA ASP 98 HA ASP 98 19.296 -5.545 -3.464 759 HB2 ASP 98 1HB ASP 98 20.517 -5.756 -1.188 760 HB3 ASP 98 2HB ASP 98 20.527 -7.487 -1.462 761 H VAL 99 H VAL 99 18.123 -8.550 -1.874 762 HA VAL 99 HA VAL 99 19.113 -10.420 -3.657 763 HB VAL 99 HB VAL 99 16.497 -10.449 -2.138 764 HG11 VAL 99 1HG1 VAL 99 17.172 -12.985 -2.082 765 HG12 VAL 99 2HG1 VAL 99 16.363 -12.306 -3.515 766 HG13 VAL 99 3HG1 VAL 99 18.125 -12.563 -3.525 767 HG21 VAL 99 1HG2 VAL 99 19.333 -11.067 -1.281 768 HG22 VAL 99 2HG2 VAL 99 18.162 -9.954 -0.534 769 HG23 VAL 99 3HG2 VAL 99 17.913 -11.713 -0.424 770 H GLY 100 H GLY 100 15.756 -9.012 -3.599 771 HA2 GLY 100 1HA GLY 100 15.579 -8.222 -6.208 772 HA3 GLY 100 2HA GLY 100 15.229 -9.938 -6.262 773 H LYS 101 H LYS 101 13.161 -8.458 -7.059 774 HA LYS 101 HA LYS 101 11.528 -7.487 -4.964 775 HB2 LYS 101 1HB LYS 101 11.458 -6.759 -7.364 776 HB3 LYS 101 2HB LYS 101 10.733 -8.300 -7.774 777 HG2 LYS 101 1HG LYS 101 8.687 -7.673 -6.985 778 HG3 LYS 101 2HG LYS 101 9.361 -7.041 -5.496 779 HD2 LYS 101 1HD LYS 101 8.283 -5.238 -6.813 780 HD3 LYS 101 2HD LYS 101 9.999 -4.937 -6.630 781 HE2 LYS 101 1HE LYS 101 10.474 -5.415 -8.880 782 HE3 LYS 101 2HE LYS 101 9.097 -6.484 -9.059 783 HZ1 LYS 101 1HZ LYS 101 7.786 -4.783 -9.578 784 HZ2 LYS 101 2HZ LYS 101 8.403 -3.779 -8.447 785 HZ3 LYS 101 3HZ LYS 101 9.162 -3.957 -9.882 786 H GLY 102 H GLY 102 10.171 -8.538 -3.598 787 HA2 GLY 102 1HA GLY 102 10.112 -11.426 -3.702 788 HA3 GLY 102 2HA GLY 102 9.442 -10.380 -2.466 789 H GLN 103 H GLN 103 7.242 -10.253 -2.354 790 HA GLN 103 HA GLN 103 5.789 -10.552 -4.848 791 HB2 GLN 103 1HB GLN 103 4.122 -12.031 -3.655 792 HB3 GLN 103 2HB GLN 103 5.690 -12.773 -3.906 793 HG2 GLN 103 1HG GLN 103 5.644 -11.301 -1.373 794 HG3 GLN 103 2HG GLN 103 4.325 -12.452 -1.438 795 HE21 GLN 103 1HE2 GLN 103 7.733 -12.277 -2.476 796 HE22 GLN 103 2HE2 GLN 103 8.230 -13.817 -1.856 797 H PHE 104 H PHE 104 3.474 -9.762 -4.651 798 HA PHE 104 HA PHE 104 3.465 -7.453 -2.885 799 HB2 PHE 104 1HB PHE 104 1.642 -8.419 -5.171 800 HB3 PHE 104 2HB PHE 104 1.507 -6.849 -4.402 801 HD1 PHE 104 1HD PHE 104 3.824 -8.960 -6.394 802 HD2 PHE 104 2HD PHE 104 2.767 -5.034 -5.180 803 HE1 PHE 104 1HE PHE 104 5.452 -8.009 -8.051 804 HE2 PHE 104 2HE PHE 104 4.395 -4.083 -6.837 805 HZ PHE 104 HZ PHE 104 5.718 -5.582 -8.253 806 H SER 105 H SER 105 1.680 -6.951 -1.485 807 HA SER 105 HA SER 105 0.607 -9.253 -0.269 808 HB2 SER 105 1HB SER 105 -0.747 -7.355 0.998 809 HB3 SER 105 2HB SER 105 0.970 -7.562 1.282 810 HG SER 105 HG SER 105 -0.389 -5.425 0.138 811 H LYS 106 H LYS 106 -1.820 -9.512 0.168 812 HA LYS 106 HA LYS 106 -3.195 -9.752 -2.217 813 HB2 LYS 106 1HB LYS 106 -3.935 -9.880 0.687 814 HB3 LYS 106 2HB LYS 106 -5.212 -9.879 -0.512 815 HG2 LYS 106 1HG LYS 106 -2.845 -11.812 -0.489 816 HG3 LYS 106 2HG LYS 106 -4.454 -12.195 0.092 817 HD2 LYS 106 1HD LYS 106 -5.249 -11.446 -2.308 818 HD3 LYS 106 2HD LYS 106 -3.567 -11.639 -2.759 819 HE2 LYS 106 1HE LYS 106 -3.568 -13.978 -2.241 820 HE3 LYS 106 2HE LYS 106 -5.033 -13.858 -1.286 821 HZ1 LYS 106 1HZ LYS 106 -6.310 -13.639 -3.176 822 HZ2 LYS 106 2HZ LYS 106 -5.062 -13.195 -4.132 823 HZ3 LYS 106 3HZ LYS 106 -5.199 -14.745 -3.635 824 H ASP 107 H ASP 107 -5.251 -8.657 -2.877 825 HA ASP 107 HA ASP 107 -4.780 -5.920 -3.074 826 HB2 ASP 107 1HB ASP 107 -7.219 -5.954 -3.989 827 HB3 ASP 107 2HB ASP 107 -6.003 -6.870 -4.857 828 H THR 108 H THR 108 -5.020 -4.553 -1.288 829 HA THR 108 HA THR 108 -6.363 -5.083 1.025 830 HB THR 108 HB THR 108 -6.379 -2.491 1.179 831 HG1 THR 108 1HG THR 108 -6.591 -2.301 -1.207 832 HG21 THR 108 1HG2 THR 108 -4.180 -4.304 1.165 833 HG22 THR 108 2HG2 THR 108 -3.681 -2.940 0.137 834 HG23 THR 108 3HG2 THR 108 -4.190 -2.648 1.818 835 H GLU 109 H GLU 109 -8.398 -4.813 1.889 836 HA GLU 109 HA GLU 109 -10.529 -5.399 0.466 837 HB2 GLU 109 1HB GLU 109 -10.037 -4.364 3.066 838 HB3 GLU 109 2HB GLU 109 -11.326 -3.376 2.409 839 HG2 GLU 109 1HG GLU 109 -12.633 -5.417 1.844 840 HG3 GLU 109 2HG GLU 109 -11.331 -6.432 2.434 841 H ARG 110 H ARG 110 -11.850 -4.507 -1.086 842 HA ARG 110 HA ARG 110 -11.187 -2.490 -2.608 843 HB2 ARG 110 1HB ARG 110 -13.422 -4.073 -2.386 844 HB3 ARG 110 2HB ARG 110 -14.119 -2.518 -1.976 845 HG2 ARG 110 1HG ARG 110 -12.879 -1.633 -4.116 846 HG3 ARG 110 2HG ARG 110 -12.716 -3.324 -4.549 847 HD2 ARG 110 1HD ARG 110 -15.335 -3.402 -4.020 848 HD3 ARG 110 2HD ARG 110 -15.239 -1.672 -4.280 849 HE ARG 110 HE ARG 110 -13.865 -2.887 -6.439 850 HH11 ARG 110 2HH2 ARG 110 -17.139 -2.782 -5.152 851 HH12 ARG 110 1HH2 ARG 110 -17.889 -3.034 -6.692 852 HH21 ARG 110 2HH1 ARG 110 -14.855 -3.219 -8.472 853 HH22 ARG 110 1HH1 ARG 110 -16.582 -3.284 -8.593 854 H VAL 111 H VAL 111 -10.336 -0.561 -1.766 855 HA VAL 111 HA VAL 111 -11.879 0.833 0.266 856 HB VAL 111 HB VAL 111 -9.171 1.394 -0.960 857 HG11 VAL 111 1HG1 VAL 111 -10.797 2.776 1.154 858 HG12 VAL 111 2HG1 VAL 111 -9.022 2.748 1.293 859 HG13 VAL 111 3HG1 VAL 111 -9.791 3.465 -0.143 860 HG21 VAL 111 1HG2 VAL 111 -10.072 -0.262 1.357 861 HG22 VAL 111 2HG2 VAL 111 -8.707 -0.497 0.239 862 HG23 VAL 111 3HG2 VAL 111 -8.585 0.697 1.553 863 H SER 112 H SER 112 -13.285 2.439 -0.219 864 HA SER 112 HA SER 112 -13.042 3.554 -2.903 865 HB2 SER 112 1HB SER 112 -15.131 2.173 -2.308 866 HB3 SER 112 2HB SER 112 -15.571 3.465 -1.209 867 HG SER 112 HG SER 112 -16.599 3.831 -3.217 868 H LEU 113 H LEU 113 -13.188 5.849 -3.147 869 HA LEU 113 HA LEU 113 -12.613 7.291 -0.701 870 HB2 LEU 113 1HB LEU 113 -11.704 7.410 -3.333 871 HB3 LEU 113 2HB LEU 113 -12.691 8.847 -3.152 872 HG LEU 113 HG LEU 113 -11.115 8.762 -0.827 873 HD11 LEU 113 1HD1 LEU 113 -9.380 8.222 -3.251 874 HD12 LEU 113 2HD1 LEU 113 -8.837 8.556 -1.589 875 HD13 LEU 113 3HD1 LEU 113 -9.716 7.051 -1.953 876 HD21 LEU 113 1HD2 LEU 113 -10.047 10.484 -2.921 877 HD22 LEU 113 2HD2 LEU 113 -11.822 10.561 -2.817 878 HD23 LEU 113 3HD2 LEU 113 -10.831 10.900 -1.378 879 HA PRO 114 HA PRO 114 -16.513 9.110 -0.398 880 HB2 PRO 114 1HB PRO 114 -15.962 11.542 0.718 881 HB3 PRO 114 2HB PRO 114 -16.015 10.054 1.642 882 HG2 PRO 114 1HG PRO 114 -13.658 11.611 0.771 883 HG3 PRO 114 2HG PRO 114 -13.766 10.390 2.024 884 HD2 PRO 114 1HD PRO 114 -12.657 10.062 -0.601 885 HD3 PRO 114 2HD PRO 114 -12.871 8.813 0.610 886 H GLU 115 H GLU 115 -18.046 9.975 -1.677 887 HA GLU 115 HA GLU 115 -17.228 11.025 -4.074 888 HB2 GLU 115 1HB GLU 115 -19.513 10.017 -3.355 889 HB3 GLU 115 2HB GLU 115 -19.923 11.631 -2.807 890 HG2 GLU 115 1HG GLU 115 -19.563 12.548 -5.064 891 HG3 GLU 115 2HG GLU 115 -18.970 11.003 -5.640 892 H SER 116 H SER 116 -17.349 13.200 -4.977 893 HA SER 116 HA SER 116 -17.824 15.362 -3.201 894 HB2 SER 116 1HB SER 116 -15.134 14.352 -3.442 895 HB3 SER 116 2HB SER 116 -15.194 15.914 -4.234 896 HG SER 116 HG SER 116 -16.411 15.607 -1.655 897 H GLY 117 H GLY 117 -16.168 14.320 -6.264 898 HA2 GLY 117 1HA GLY 117 -17.520 16.562 -7.642 899 HA3 GLY 117 2HA GLY 117 -15.960 15.903 -8.092 900 HA PRO 118 HA PRO 118 -19.395 13.662 -10.265 901 HB2 PRO 118 1HB PRO 118 -19.404 14.902 -12.700 902 HB3 PRO 118 2HB PRO 118 -20.542 15.288 -11.424 903 HG2 PRO 118 1HG PRO 118 -18.190 16.827 -12.340 904 HG3 PRO 118 2HG PRO 118 -19.556 17.373 -11.388 905 HD2 PRO 118 1HD PRO 118 -16.923 16.772 -10.423 906 HD3 PRO 118 2HD PRO 118 -18.319 17.206 -9.457 907 H SER 119 H SER 119 -19.045 11.766 -11.312 908 HA SER 119 HA SER 119 -16.390 11.671 -12.517 909 HB2 SER 119 1HB SER 119 -17.964 9.445 -11.146 910 HB3 SER 119 2HB SER 119 -16.414 9.227 -11.933 911 HG SER 119 HG SER 119 -15.852 11.179 -10.345 912 H SER 120 H SER 120 -16.727 11.856 -14.721 913 HA SER 120 HA SER 120 -19.036 10.499 -15.817 914 HB2 SER 120 1HB SER 120 -17.928 12.980 -16.339 915 HB3 SER 120 2HB SER 120 -17.259 12.025 -17.646 916 HG SER 120 HG SER 120 -19.668 11.247 -17.816 917 H GLY 121 H GLY 121 -18.743 8.419 -16.523 918 HA2 GLY 121 1HA GLY 121 -17.735 7.012 -18.166 919 HA3 GLY 121 2HA GLY 121 -16.189 7.777 -17.857 Start of MODEL 8 1 H1 GLY 1 H GLY 1 12.765 -16.872 -16.820 2 HA2 GLY 1 1HA GLY 1 10.663 -16.745 -15.056 3 HA3 GLY 1 2HA GLY 1 9.920 -17.041 -16.615 4 H SER 2 H SER 2 10.981 -18.594 -13.907 5 HA SER 2 HA SER 2 11.513 -20.634 -13.395 6 HB2 SER 2 1HB SER 2 10.521 -22.401 -14.595 7 HB3 SER 2 2HB SER 2 9.538 -21.022 -15.045 8 HG SER 2 HG SER 2 10.300 -21.069 -17.081 9 H SER 3 H SER 3 13.082 -22.507 -13.837 10 HA SER 3 HA SER 3 14.795 -22.475 -15.984 11 HB2 SER 3 1HB SER 3 15.394 -20.233 -14.708 12 HB3 SER 3 2HB SER 3 16.232 -21.296 -13.596 13 HG SER 3 HG SER 3 16.747 -21.788 -16.329 14 H GLY 4 H GLY 4 16.863 -23.859 -15.446 15 HA2 GLY 4 1HA GLY 4 16.027 -26.178 -14.067 16 HA3 GLY 4 2HA GLY 4 17.625 -25.842 -14.704 17 H SER 5 H SER 5 18.678 -26.755 -12.844 18 HA SER 5 HA SER 5 18.118 -25.458 -10.329 19 HB2 SER 5 1HB SER 5 19.755 -27.183 -9.436 20 HB3 SER 5 2HB SER 5 18.314 -27.848 -10.180 21 HG SER 5 HG SER 5 21.001 -28.018 -10.990 22 H SER 6 H SER 6 20.932 -26.172 -12.519 23 HA SER 6 HA SER 6 22.790 -25.117 -12.896 24 HB2 SER 6 1HB SER 6 21.403 -22.729 -11.600 25 HB3 SER 6 2HB SER 6 22.932 -22.632 -12.450 26 HG SER 6 HG SER 6 20.309 -23.105 -13.482 27 H GLY 7 H GLY 7 24.812 -24.192 -11.806 28 HA2 GLY 7 1HA GLY 7 25.206 -25.463 -9.294 29 HA3 GLY 7 2HA GLY 7 26.339 -24.451 -10.168 30 H ARG 8 H ARG 8 24.863 -24.684 -7.263 31 HA ARG 8 HA ARG 8 25.038 -21.833 -6.899 32 HB2 ARG 8 1HB ARG 8 22.899 -21.881 -5.501 33 HB3 ARG 8 2HB ARG 8 22.649 -22.074 -7.225 34 HG2 ARG 8 1HG ARG 8 21.627 -24.064 -6.868 35 HG3 ARG 8 2HG ARG 8 23.094 -24.700 -6.150 36 HD2 ARG 8 1HD ARG 8 21.759 -22.913 -4.261 37 HD3 ARG 8 2HD ARG 8 20.634 -24.131 -4.828 38 HE ARG 8 HE ARG 8 22.838 -25.654 -4.280 39 HH11 ARG 8 2HH2 ARG 8 21.185 -23.175 -2.409 40 HH12 ARG 8 1HH2 ARG 8 21.615 -23.862 -0.879 41 HH21 ARG 8 2HH1 ARG 8 23.406 -26.562 -2.261 42 HH22 ARG 8 1HH1 ARG 8 22.887 -25.802 -0.794 43 H SER 9 H SER 9 25.866 -21.286 -4.833 44 HA SER 9 HA SER 9 25.852 -23.310 -2.802 45 HB2 SER 9 1HB SER 9 28.256 -22.645 -4.410 46 HB3 SER 9 2HB SER 9 28.520 -22.564 -2.680 47 HG SER 9 HG SER 9 27.388 -24.777 -2.674 48 H ALA 10 H ALA 10 25.944 -22.383 -0.714 49 HA ALA 10 HA ALA 10 26.010 -19.455 -0.714 50 HB1 ALA 10 1HB ALA 10 24.392 -19.538 0.895 51 HB2 ALA 10 2HB ALA 10 24.099 -21.154 0.209 52 HB3 ALA 10 3HB ALA 10 25.093 -20.977 1.675 53 H HIS 11 H HIS 11 27.709 -18.398 0.194 54 HA HIS 11 HA HIS 11 29.409 -19.982 1.979 55 HB2 HIS 11 1HB HIS 11 30.235 -19.391 -0.443 56 HB3 HIS 11 2HB HIS 11 30.517 -17.800 0.235 57 HD1 HIS 11 1HD HIS 11 32.005 -17.952 2.652 58 HD2 HIS 11 2HD HIS 11 32.396 -21.029 -0.173 59 HE1 HIS 11 1HE HIS 11 34.202 -19.136 3.183 60 H LEU 12 H LEU 12 28.780 -16.556 0.916 61 HA LEU 12 HA LEU 12 29.063 -15.789 3.727 62 HB2 LEU 12 1HB LEU 12 29.640 -14.490 1.125 63 HB3 LEU 12 2HB LEU 12 29.026 -13.453 2.396 64 HG LEU 12 HG LEU 12 30.888 -14.392 3.878 65 HD11 LEU 12 1HD1 LEU 12 32.581 -14.994 1.572 66 HD12 LEU 12 2HD1 LEU 12 32.391 -15.854 3.119 67 HD13 LEU 12 3HD1 LEU 12 31.251 -16.157 1.786 68 HD21 LEU 12 1HD2 LEU 12 31.028 -12.148 3.119 69 HD22 LEU 12 2HD2 LEU 12 32.613 -12.896 2.806 70 HD23 LEU 12 3HD2 LEU 12 31.463 -12.656 1.469 71 H ARG 13 H ARG 13 26.920 -16.683 4.236 72 HA ARG 13 HA ARG 13 24.820 -16.437 4.680 73 HB2 ARG 13 1HB ARG 13 25.186 -13.603 3.585 74 HB3 ARG 13 2HB ARG 13 23.733 -14.144 4.401 75 HG2 ARG 13 1HG ARG 13 24.686 -13.798 6.428 76 HG3 ARG 13 2HG ARG 13 26.007 -14.880 6.032 77 HD2 ARG 13 1HD ARG 13 26.517 -12.502 4.548 78 HD3 ARG 13 2HD ARG 13 25.993 -11.956 6.129 79 HE ARG 13 HE ARG 13 27.884 -14.114 6.422 80 HH11 ARG 13 2HH2 ARG 13 27.707 -10.702 5.579 81 HH12 ARG 13 1HH2 ARG 13 29.327 -10.361 6.089 82 HH21 ARG 13 2HH1 ARG 13 30.021 -13.664 7.094 83 HH22 ARG 13 1HH1 ARG 13 30.652 -12.057 6.956 84 H VAL 14 H VAL 14 22.601 -16.396 3.660 85 HA VAL 14 HA VAL 14 22.848 -16.803 0.768 86 HB VAL 14 HB VAL 14 22.085 -18.623 2.429 87 HG11 VAL 14 1HG1 VAL 14 19.865 -18.622 3.202 88 HG12 VAL 14 2HG1 VAL 14 20.445 -16.973 3.538 89 HG13 VAL 14 3HG1 VAL 14 19.395 -17.279 2.133 90 HG21 VAL 14 1HG2 VAL 14 20.266 -18.034 0.074 91 HG22 VAL 14 2HG2 VAL 14 21.918 -18.680 -0.080 92 HG23 VAL 14 3HG2 VAL 14 20.669 -19.622 0.769 93 H ARG 15 H ARG 15 21.416 -15.771 -0.678 94 HA ARG 15 HA ARG 15 20.179 -13.441 0.510 95 HB2 ARG 15 1HB ARG 15 21.327 -14.124 -2.177 96 HB3 ARG 15 2HB ARG 15 19.950 -13.041 -2.196 97 HG2 ARG 15 1HG ARG 15 21.174 -11.643 -0.409 98 HG3 ARG 15 2HG ARG 15 22.584 -12.638 -0.713 99 HD2 ARG 15 1HD ARG 15 21.260 -11.483 -3.143 100 HD3 ARG 15 2HD ARG 15 22.045 -10.330 -2.082 101 HE ARG 15 HE ARG 15 23.943 -12.327 -2.334 102 HH11 ARG 15 2HH2 ARG 15 22.109 -10.414 -4.649 103 HH12 ARG 15 1HH2 ARG 15 23.339 -10.473 -5.866 104 HH21 ARG 15 2HH1 ARG 15 25.567 -12.405 -3.940 105 HH22 ARG 15 1HH1 ARG 15 25.320 -11.612 -5.460 106 H GLN 16 H GLN 16 18.223 -14.451 1.308 107 HA GLN 16 HA GLN 16 16.614 -15.826 -0.649 108 HB2 GLN 16 1HB GLN 16 16.960 -16.018 2.167 109 HB3 GLN 16 2HB GLN 16 15.320 -15.447 1.933 110 HG2 GLN 16 1HG GLN 16 15.297 -17.888 1.920 111 HG3 GLN 16 2HG GLN 16 14.918 -17.321 0.305 112 HE21 GLN 16 1HE2 GLN 16 17.212 -18.907 2.354 113 HE22 GLN 16 2HE2 GLN 16 18.305 -19.473 1.135 114 H LEU 17 H LEU 17 14.372 -15.186 -1.108 115 HA LEU 17 HA LEU 17 14.156 -12.350 -1.361 116 HB2 LEU 17 1HB LEU 17 12.284 -14.612 -2.069 117 HB3 LEU 17 2HB LEU 17 11.990 -12.927 -2.449 118 HG LEU 17 HG LEU 17 14.408 -14.467 -3.425 119 HD11 LEU 17 1HD1 LEU 17 13.097 -14.333 -5.657 120 HD12 LEU 17 2HD1 LEU 17 12.681 -15.601 -4.479 121 HD13 LEU 17 3HD1 LEU 17 11.665 -14.146 -4.616 122 HD21 LEU 17 1HD2 LEU 17 13.577 -12.213 -5.036 123 HD22 LEU 17 2HD2 LEU 17 13.880 -11.716 -3.354 124 HD23 LEU 17 3HD2 LEU 17 15.150 -12.556 -4.276 125 HA PRO 18 HA PRO 18 11.900 -11.614 2.247 126 HB2 PRO 18 1HB PRO 18 10.739 -9.217 1.637 127 HB3 PRO 18 2HB PRO 18 12.398 -9.367 2.180 128 HG2 PRO 18 1HG PRO 18 11.380 -8.837 -0.544 129 HG3 PRO 18 2HG PRO 18 12.990 -8.574 0.096 130 HD2 PRO 18 1HD PRO 18 12.154 -10.717 -1.618 131 HD3 PRO 18 2HD PRO 18 13.733 -10.517 -0.884 132 H HIS 19 H HIS 19 9.686 -11.092 3.184 133 HA HIS 19 HA HIS 19 7.831 -12.594 1.509 134 HB2 HIS 19 1HB HIS 19 8.306 -12.334 4.415 135 HB3 HIS 19 2HB HIS 19 6.617 -12.364 3.948 136 HD1 HIS 19 1HD HIS 19 5.743 -14.681 4.207 137 HD2 HIS 19 2HD HIS 19 9.660 -14.645 2.708 138 HE1 HIS 19 1HE HIS 19 6.374 -17.119 3.797 139 H ALA 20 H ALA 20 5.548 -11.859 1.400 140 HA ALA 20 HA ALA 20 5.421 -9.138 0.714 141 HB1 ALA 20 1HB ALA 20 3.826 -10.237 -0.466 142 HB2 ALA 20 2HB ALA 20 3.660 -11.514 0.763 143 HB3 ALA 20 3HB ALA 20 2.807 -9.965 0.968 144 HA PRO 21 HA PRO 21 4.216 -7.293 4.435 145 HB2 PRO 21 1HB PRO 21 2.475 -5.337 3.654 146 HB3 PRO 21 2HB PRO 21 4.215 -5.183 3.514 147 HG2 PRO 21 1HG PRO 21 2.223 -5.700 1.391 148 HG3 PRO 21 2HG PRO 21 3.872 -5.128 1.234 149 HD2 PRO 21 1HD PRO 21 2.918 -7.782 0.708 150 HD3 PRO 21 2HD PRO 21 4.584 -7.238 0.663 151 H GLU 22 H GLU 22 3.183 -8.195 6.090 152 HA GLU 22 HA GLU 22 0.668 -9.392 5.480 153 HB2 GLU 22 1HB GLU 22 2.199 -9.192 8.112 154 HB3 GLU 22 2HB GLU 22 0.780 -10.186 7.849 155 HG2 GLU 22 1HG GLU 22 2.129 -11.844 7.099 156 HG3 GLU 22 2HG GLU 22 2.538 -10.844 5.718 157 H HIS 23 H HIS 23 -1.113 -9.093 7.371 158 HA HIS 23 HA HIS 23 -2.761 -7.709 7.910 159 HB2 HIS 23 1HB HIS 23 -0.524 -7.362 9.589 160 HB3 HIS 23 2HB HIS 23 -1.166 -5.752 9.333 161 HD1 HIS 23 1HD HIS 23 -3.725 -5.359 10.049 162 HD2 HIS 23 2HD HIS 23 -2.019 -8.988 11.279 163 HE1 HIS 23 1HE HIS 23 -5.256 -6.289 11.867 164 HA PRO 24 HA PRO 24 -1.633 -4.512 4.798 165 HB2 PRO 24 1HB PRO 24 -2.877 -5.527 2.587 166 HB3 PRO 24 2HB PRO 24 -1.168 -5.741 2.907 167 HG2 PRO 24 1HG PRO 24 -3.364 -7.700 3.182 168 HG3 PRO 24 2HG PRO 24 -1.639 -7.992 3.081 169 HD2 PRO 24 1HD PRO 24 -3.260 -8.081 5.446 170 HD3 PRO 24 2HD PRO 24 -1.519 -8.258 5.362 171 H VAL 25 H VAL 25 -2.818 -3.006 5.919 172 HA VAL 25 HA VAL 25 -5.701 -3.224 5.429 173 HB VAL 25 HB VAL 25 -6.047 -2.421 7.483 174 HG11 VAL 25 1HG1 VAL 25 -4.608 -3.317 9.056 175 HG12 VAL 25 2HG1 VAL 25 -4.117 -4.204 7.594 176 HG13 VAL 25 3HG1 VAL 25 -3.148 -2.824 8.165 177 HG21 VAL 25 1HG2 VAL 25 -5.515 -0.188 7.324 178 HG22 VAL 25 2HG2 VAL 25 -4.308 -0.715 8.522 179 HG23 VAL 25 3HG2 VAL 25 -3.838 -0.507 6.818 180 H ALA 26 H ALA 26 -6.872 -1.350 4.694 181 HA ALA 26 HA ALA 26 -5.270 0.900 3.802 182 HB1 ALA 26 1HB ALA 26 -5.262 -0.868 1.975 183 HB2 ALA 26 2HB ALA 26 -7.025 -0.646 1.861 184 HB3 ALA 26 3HB ALA 26 -5.932 0.712 1.501 185 H THR 27 H THR 27 -6.342 2.463 4.939 186 HA THR 27 HA THR 27 -9.274 2.493 4.640 187 HB THR 27 HB THR 27 -8.923 3.807 6.968 188 HG1 THR 27 1HG THR 27 -6.977 3.086 7.933 189 HG21 THR 27 1HG2 THR 27 -10.070 1.489 6.559 190 HG22 THR 27 2HG2 THR 27 -8.492 0.788 6.989 191 HG23 THR 27 3HG2 THR 27 -9.376 1.781 8.172 192 H LEU 28 H LEU 28 -10.213 4.746 4.929 193 HA LEU 28 HA LEU 28 -8.813 6.442 3.099 194 HB2 LEU 28 1HB LEU 28 -11.496 6.156 4.188 195 HB3 LEU 28 2HB LEU 28 -10.994 7.833 4.117 196 HG LEU 28 HG LEU 28 -10.999 5.896 1.785 197 HD11 LEU 28 1HD1 LEU 28 -12.785 8.301 2.048 198 HD12 LEU 28 2HD1 LEU 28 -12.970 6.855 1.027 199 HD13 LEU 28 3HD1 LEU 28 -13.236 6.745 2.784 200 HD21 LEU 28 1HD2 LEU 28 -9.346 8.027 2.033 201 HD22 LEU 28 2HD2 LEU 28 -9.988 7.430 0.484 202 HD23 LEU 28 3HD2 LEU 28 -10.771 8.804 1.302 203 H SER 29 H SER 29 -8.771 8.928 3.697 204 HA SER 29 HA SER 29 -7.376 9.025 6.245 205 HB2 SER 29 1HB SER 29 -7.257 10.908 3.846 206 HB3 SER 29 2HB SER 29 -6.331 11.112 5.320 207 HG SER 29 HG SER 29 -4.903 9.999 4.097 208 H THR 30 H THR 30 -8.475 9.945 7.934 209 HA THR 30 HA THR 30 -10.778 11.625 7.318 210 HB THR 30 HB THR 30 -11.438 11.099 9.585 211 HG1 THR 30 1HG THR 30 -8.753 9.965 9.855 212 HG21 THR 30 1HG2 THR 30 -9.844 8.699 8.538 213 HG22 THR 30 2HG2 THR 30 -11.092 8.634 9.805 214 HG23 THR 30 3HG2 THR 30 -11.540 9.058 8.136 215 H VAL 31 H VAL 31 -8.193 12.716 6.665 216 HA VAL 31 HA VAL 31 -8.445 15.140 8.167 217 HB VAL 31 HB VAL 31 -6.050 15.155 8.853 218 HG11 VAL 31 1HG1 VAL 31 -8.033 14.580 10.359 219 HG12 VAL 31 2HG1 VAL 31 -7.537 12.879 10.184 220 HG13 VAL 31 3HG1 VAL 31 -6.425 14.060 10.917 221 HG21 VAL 31 1HG2 VAL 31 -5.044 12.805 9.174 222 HG22 VAL 31 2HG2 VAL 31 -6.218 12.279 7.944 223 HG23 VAL 31 3HG2 VAL 31 -5.000 13.512 7.541 224 H GLU 32 H GLU 32 -6.536 13.118 5.861 225 HA GLU 32 HA GLU 32 -5.920 15.534 4.394 226 HB2 GLU 32 1HB GLU 32 -4.811 12.748 4.499 227 HB3 GLU 32 2HB GLU 32 -4.675 13.593 2.970 228 HG2 GLU 32 1HG GLU 32 -2.842 14.634 3.812 229 HG3 GLU 32 2HG GLU 32 -3.921 15.538 4.856 230 H ARG 33 H ARG 33 -7.338 16.193 2.844 231 HA ARG 33 HA ARG 33 -9.472 14.702 2.036 232 HB2 ARG 33 1HB ARG 33 -8.031 17.012 0.645 233 HB3 ARG 33 2HB ARG 33 -9.575 16.390 0.097 234 HG2 ARG 33 1HG ARG 33 -9.446 17.013 3.013 235 HG3 ARG 33 2HG ARG 33 -9.278 18.404 1.959 236 HD2 ARG 33 1HD ARG 33 -11.378 17.316 0.703 237 HD3 ARG 33 2HD ARG 33 -11.622 16.512 2.241 238 HE ARG 33 HE ARG 33 -12.300 18.549 3.167 239 HH11 ARG 33 2HH2 ARG 33 -10.508 19.182 0.205 240 HH12 ARG 33 1HH2 ARG 33 -10.845 20.881 0.214 241 HH21 ARG 33 2HH1 ARG 33 -12.745 20.790 3.179 242 HH22 ARG 33 1HH1 ARG 33 -12.126 21.802 1.916 243 H ARG 34 H ARG 34 -9.863 13.238 0.339 244 HA ARG 34 HA ARG 34 -9.387 11.702 -1.111 245 HB2 ARG 34 1HB ARG 34 -7.501 13.730 -2.408 246 HB3 ARG 34 2HB ARG 34 -8.334 12.414 -3.212 247 HG2 ARG 34 1HG ARG 34 -10.006 14.432 -1.717 248 HG3 ARG 34 2HG ARG 34 -9.299 14.926 -3.242 249 HD2 ARG 34 1HD ARG 34 -10.291 12.511 -4.013 250 HD3 ARG 34 2HD ARG 34 -11.411 12.855 -2.710 251 HE ARG 34 HE ARG 34 -11.346 14.154 -5.286 252 HH11 ARG 34 2HH2 ARG 34 -11.967 14.803 -1.884 253 HH12 ARG 34 1HH2 ARG 34 -13.031 16.132 -2.200 254 HH21 ARG 34 2HH1 ARG 34 -12.749 15.909 -5.704 255 HH22 ARG 34 1HH1 ARG 34 -13.479 16.766 -4.388 256 H ALA 35 H ALA 35 -7.914 11.275 1.167 257 HA ALA 35 HA ALA 35 -5.382 10.282 0.076 258 HB1 ALA 35 1HB ALA 35 -5.734 11.634 2.782 259 HB2 ALA 35 2HB ALA 35 -4.222 10.977 2.108 260 HB3 ALA 35 3HB ALA 35 -4.992 12.394 1.353 261 H ILE 36 H ILE 36 -4.810 8.218 0.796 262 HA ILE 36 HA ILE 36 -6.739 6.998 2.648 263 HB ILE 36 HB ILE 36 -5.442 5.819 0.190 264 HG12 ILE 36 1HG1 ILE 36 -8.358 6.343 0.837 265 HG13 ILE 36 2HG1 ILE 36 -7.367 7.329 -0.220 266 HG21 ILE 36 1HG2 ILE 36 -5.765 4.369 2.380 267 HG22 ILE 36 2HG2 ILE 36 -7.452 4.321 1.815 268 HG23 ILE 36 3HG2 ILE 36 -6.145 3.723 0.765 269 HD11 ILE 36 1HD1 ILE 36 -8.775 5.629 -1.445 270 HD12 ILE 36 2HD1 ILE 36 -7.032 5.466 -1.765 271 HD13 ILE 36 3HD1 ILE 36 -7.840 4.344 -0.645 272 H ASN 37 H ASN 37 -5.912 5.652 4.271 273 HA ASN 37 HA ASN 37 -3.044 5.943 4.592 274 HB2 ASN 37 1HB ASN 37 -5.349 5.989 6.388 275 HB3 ASN 37 2HB ASN 37 -4.235 4.742 6.913 276 HD21 ASN 37 1HD2 ASN 37 -5.044 7.636 7.697 277 HD22 ASN 37 2HD2 ASN 37 -3.539 8.415 8.053 278 H LEU 38 H LEU 38 -1.717 4.092 4.524 279 HA LEU 38 HA LEU 38 -3.099 1.500 4.546 280 HB2 LEU 38 1HB LEU 38 -2.374 2.347 2.267 281 HB3 LEU 38 2HB LEU 38 -0.720 2.174 2.821 282 HG LEU 38 HG LEU 38 -1.744 -0.302 3.411 283 HD11 LEU 38 1HD1 LEU 38 -2.827 0.115 0.665 284 HD12 LEU 38 2HD1 LEU 38 -3.299 -1.049 1.926 285 HD13 LEU 38 3HD1 LEU 38 -3.817 0.650 2.044 286 HD21 LEU 38 1HD2 LEU 38 0.271 0.748 1.877 287 HD22 LEU 38 2HD2 LEU 38 -0.081 -0.985 2.081 288 HD23 LEU 38 3HD2 LEU 38 -0.716 -0.108 0.668 289 H THR 39 H THR 39 -2.208 -0.070 5.847 290 HA THR 39 HA THR 39 0.473 0.386 6.898 291 HB THR 39 HB THR 39 -0.211 0.678 9.109 292 HG1 THR 39 1HG THR 39 -2.390 -0.963 8.090 293 HG21 THR 39 1HG2 THR 39 -1.415 2.510 7.836 294 HG22 THR 39 2HG2 THR 39 -2.824 1.431 7.697 295 HG23 THR 39 3HG2 THR 39 -2.291 1.997 9.298 296 H TRP 40 H TRP 40 1.632 -1.441 6.924 297 HA TRP 40 HA TRP 40 0.106 -3.954 6.940 298 HB2 TRP 40 1HB TRP 40 1.778 -4.884 5.394 299 HB3 TRP 40 2HB TRP 40 0.802 -3.612 4.687 300 HD1 TRP 40 HD TRP 40 4.418 -4.463 5.482 301 HE1 TRP 40 1HE TRP 40 6.088 -2.626 4.588 302 HE3 TRP 40 3HE TRP 40 0.849 -1.035 4.315 303 HZ2 TRP 40 2HZ TRP 40 5.737 -0.004 3.517 304 HZ3 TRP 40 3HZ TRP 40 1.597 1.138 3.349 305 HH2 TRP 40 HH TRP 40 3.947 1.678 2.947 306 H THR 41 H THR 41 1.948 -5.810 7.370 307 HA THR 41 HA THR 41 3.332 -4.876 9.787 308 HB THR 41 HB THR 41 1.809 -7.294 8.964 309 HG1 THR 41 1HG THR 41 1.637 -7.201 11.365 310 HG21 THR 41 1HG2 THR 41 4.446 -7.488 10.505 311 HG22 THR 41 2HG2 THR 41 3.147 -8.697 10.641 312 HG23 THR 41 3HG2 THR 41 3.963 -8.440 9.081 313 H LYS 42 H LYS 42 5.474 -5.745 10.279 314 HA LYS 42 HA LYS 42 7.105 -5.607 7.927 315 HB2 LYS 42 1HB LYS 42 7.456 -4.703 10.420 316 HB3 LYS 42 2HB LYS 42 8.235 -6.260 10.613 317 HG2 LYS 42 1HG LYS 42 8.942 -4.715 8.138 318 HG3 LYS 42 2HG LYS 42 9.527 -4.062 9.655 319 HD2 LYS 42 1HD LYS 42 10.331 -6.527 10.140 320 HD3 LYS 42 2HD LYS 42 10.128 -6.768 8.416 321 HE2 LYS 42 1HE LYS 42 12.428 -6.116 8.750 322 HE3 LYS 42 2HE LYS 42 11.623 -4.738 8.027 323 HZ1 LYS 42 1HZ LYS 42 11.707 -3.589 9.962 324 HZ2 LYS 42 2HZ LYS 42 11.689 -4.910 10.923 325 HZ3 LYS 42 3HZ LYS 42 13.062 -4.482 10.148 326 HA PRO 43 HA PRO 43 6.979 -9.965 7.485 327 HB2 PRO 43 1HB PRO 43 8.097 -10.066 4.994 328 HB3 PRO 43 2HB PRO 43 6.381 -9.840 5.265 329 HG2 PRO 43 1HG PRO 43 8.404 -7.849 4.441 330 HG3 PRO 43 2HG PRO 43 6.659 -7.760 4.308 331 HD2 PRO 43 1HD PRO 43 8.303 -6.426 6.244 332 HD3 PRO 43 2HD PRO 43 6.551 -6.431 6.181 333 H PHE 44 H PHE 44 8.620 -11.745 6.744 334 HA PHE 44 HA PHE 44 10.952 -11.142 8.340 335 HB2 PHE 44 1HB PHE 44 9.729 -13.285 8.615 336 HB3 PHE 44 2HB PHE 44 9.794 -13.593 6.891 337 HD1 PHE 44 2HD PHE 44 12.232 -13.755 5.886 338 HD2 PHE 44 1HD PHE 44 11.282 -14.315 9.984 339 HE1 PHE 44 2HE PHE 44 14.352 -15.062 6.199 340 HE2 PHE 44 1HE PHE 44 13.402 -15.622 10.296 341 HZ PHE 44 HZ PHE 44 14.912 -15.979 8.400 342 H ASP 45 H ASP 45 12.934 -10.614 7.536 343 HA ASP 45 HA ASP 45 13.189 -10.335 4.736 344 HB2 ASP 45 1HB ASP 45 15.360 -9.376 5.239 345 HB3 ASP 45 2HB ASP 45 14.231 -8.803 6.450 346 H GLY 46 H GLY 46 14.249 -11.761 3.301 347 HA2 GLY 46 1HA GLY 46 14.651 -14.414 3.908 348 HA3 GLY 46 2HA GLY 46 15.368 -13.563 2.554 349 H ASN 47 H ASN 47 17.030 -11.680 3.925 350 HA ASN 47 HA ASN 47 18.539 -12.843 5.927 351 HB2 ASN 47 1HB ASN 47 19.097 -13.972 3.371 352 HB3 ASN 47 2HB ASN 47 20.407 -12.843 3.658 353 HD21 ASN 47 1HD2 ASN 47 21.841 -14.585 3.818 354 HD22 ASN 47 2HD2 ASN 47 21.969 -15.556 5.246 355 H SER 48 H SER 48 18.372 -10.819 2.958 356 HA SER 48 HA SER 48 20.280 -8.970 4.083 357 HB2 SER 48 1HB SER 48 19.706 -9.784 1.477 358 HB3 SER 48 2HB SER 48 18.948 -8.206 1.557 359 HG SER 48 HG SER 48 21.694 -8.911 1.715 360 HA PRO 49 HA PRO 49 17.228 -6.124 5.316 361 HB2 PRO 49 1HB PRO 49 18.395 -3.691 4.884 362 HB3 PRO 49 2HB PRO 49 18.774 -4.704 6.263 363 HG2 PRO 49 1HG PRO 49 20.377 -4.215 3.828 364 HG3 PRO 49 2HG PRO 49 20.896 -4.859 5.372 365 HD2 PRO 49 1HD PRO 49 20.426 -6.344 2.964 366 HD3 PRO 49 2HD PRO 49 20.832 -7.000 4.537 367 H LEU 50 H LEU 50 15.431 -4.858 4.775 368 HA LEU 50 HA LEU 50 14.729 -5.139 2.067 369 HB2 LEU 50 1HB LEU 50 13.494 -3.494 4.280 370 HB3 LEU 50 2HB LEU 50 12.756 -3.796 2.720 371 HG LEU 50 HG LEU 50 13.433 -5.895 4.798 372 HD11 LEU 50 1HD1 LEU 50 10.647 -5.740 4.143 373 HD12 LEU 50 2HD1 LEU 50 11.453 -5.507 5.713 374 HD13 LEU 50 3HD1 LEU 50 11.231 -4.126 4.612 375 HD21 LEU 50 1HD2 LEU 50 13.463 -7.304 3.066 376 HD22 LEU 50 2HD2 LEU 50 11.702 -7.055 3.001 377 HD23 LEU 50 3HD2 LEU 50 12.775 -6.099 1.951 378 H ILE 51 H ILE 51 14.741 -3.704 0.344 379 HA ILE 51 HA ILE 51 16.420 -1.358 0.772 380 HB ILE 51 HB ILE 51 15.710 -3.062 -1.585 381 HG12 ILE 51 1HG1 ILE 51 18.336 -2.058 -0.448 382 HG13 ILE 51 2HG1 ILE 51 17.655 -3.655 -0.205 383 HG21 ILE 51 1HG2 ILE 51 16.562 -0.178 -1.635 384 HG22 ILE 51 2HG2 ILE 51 17.061 -1.301 -2.922 385 HG23 ILE 51 3HG2 ILE 51 15.332 -1.016 -2.612 386 HD11 ILE 51 1HD1 ILE 51 18.695 -2.429 -2.781 387 HD12 ILE 51 2HD1 ILE 51 19.186 -3.950 -1.997 388 HD13 ILE 51 3HD1 ILE 51 17.604 -3.835 -2.805 389 H ARG 52 H ARG 52 13.242 -2.372 -0.625 390 HA ARG 52 HA ARG 52 12.049 -0.024 0.282 391 HB2 ARG 52 1HB ARG 52 11.543 1.085 -1.855 392 HB3 ARG 52 2HB ARG 52 13.281 0.950 -1.679 393 HG2 ARG 52 1HG ARG 52 13.379 -0.946 -3.196 394 HG3 ARG 52 2HG ARG 52 11.636 -1.125 -3.191 395 HD2 ARG 52 1HD ARG 52 11.617 0.180 -5.057 396 HD3 ARG 52 2HD ARG 52 11.976 1.534 -4.004 397 HE ARG 52 HE ARG 52 14.177 1.552 -4.807 398 HH11 ARG 52 2HH2 ARG 52 12.667 -1.517 -5.635 399 HH12 ARG 52 1HH2 ARG 52 13.981 -2.040 -6.635 400 HH21 ARG 52 2HH1 ARG 52 15.911 0.863 -6.127 401 HH22 ARG 52 1HH1 ARG 52 15.839 -0.677 -6.917 402 H TYR 53 H TYR 53 9.843 0.149 -1.510 403 HA TYR 53 HA TYR 53 8.925 -2.579 -1.928 404 HB2 TYR 53 1HB TYR 53 7.999 -0.512 0.099 405 HB3 TYR 53 2HB TYR 53 6.744 -1.447 -0.690 406 HD1 TYR 53 1HD TYR 53 9.945 -1.888 1.207 407 HD2 TYR 53 2HD TYR 53 6.129 -3.528 0.181 408 HE1 TYR 53 1HE TYR 53 10.307 -3.784 2.861 409 HE2 TYR 53 2HE TYR 53 6.504 -5.418 1.839 410 HH TYR 53 HH TYR 53 8.499 -5.346 4.231 411 H ILE 54 H ILE 54 7.636 -2.740 -3.724 412 HA ILE 54 HA ILE 54 7.048 -0.232 -5.078 413 HB ILE 54 HB ILE 54 6.954 -3.100 -6.020 414 HG12 ILE 54 1HG1 ILE 54 8.982 -0.933 -6.639 415 HG13 ILE 54 2HG1 ILE 54 9.224 -2.201 -5.454 416 HG21 ILE 54 1HG2 ILE 54 6.842 -0.644 -7.767 417 HG22 ILE 54 2HG2 ILE 54 6.478 -2.337 -8.183 418 HG23 ILE 54 3HG2 ILE 54 5.372 -1.421 -7.132 419 HD11 ILE 54 1HD1 ILE 54 8.378 -3.631 -7.697 420 HD12 ILE 54 2HD1 ILE 54 9.378 -2.334 -8.395 421 HD13 ILE 54 3HD1 ILE 54 10.067 -3.430 -7.172 422 H LEU 55 H LEU 55 5.210 0.683 -4.244 423 HA LEU 55 HA LEU 55 2.964 -1.065 -3.665 424 HB2 LEU 55 1HB LEU 55 3.392 0.479 -1.963 425 HB3 LEU 55 2HB LEU 55 3.637 1.803 -3.085 426 HG LEU 55 HG LEU 55 1.454 1.657 -1.662 427 HD11 LEU 55 1HD1 LEU 55 0.579 3.228 -3.031 428 HD12 LEU 55 2HD1 LEU 55 2.168 3.094 -3.821 429 HD13 LEU 55 3HD1 LEU 55 0.765 2.227 -4.491 430 HD21 LEU 55 1HD2 LEU 55 -0.267 0.308 -2.328 431 HD22 LEU 55 2HD2 LEU 55 0.331 0.171 -3.999 432 HD23 LEU 55 3HD2 LEU 55 1.115 -0.753 -2.695 433 H GLU 56 H GLU 56 1.487 -1.542 -5.192 434 HA GLU 56 HA GLU 56 1.265 0.365 -7.387 435 HB2 GLU 56 1HB GLU 56 1.124 -2.635 -7.241 436 HB3 GLU 56 2HB GLU 56 0.119 -1.839 -8.436 437 HG2 GLU 56 1HG GLU 56 2.045 -0.764 -9.467 438 HG3 GLU 56 2HG GLU 56 3.097 -1.247 -8.151 439 H MET 57 H MET 57 -0.776 1.178 -7.966 440 HA MET 57 HA MET 57 -2.924 0.346 -6.172 441 HB2 MET 57 1HB MET 57 -2.236 2.670 -5.744 442 HB3 MET 57 2HB MET 57 -2.258 3.048 -7.455 443 HG2 MET 57 1HG MET 57 -4.792 2.407 -7.378 444 HG3 MET 57 2HG MET 57 -4.636 2.500 -5.635 445 HE1 MET 57 1HE MET 57 -3.540 5.811 -8.560 446 HE2 MET 57 2HE MET 57 -3.556 4.049 -8.816 447 HE3 MET 57 3HE MET 57 -5.074 4.975 -8.904 448 H SER 58 H SER 58 -5.055 0.093 -7.051 449 HA SER 58 HA SER 58 -5.078 0.086 -9.969 450 HB2 SER 58 1HB SER 58 -5.318 -2.168 -9.718 451 HB3 SER 58 2HB SER 58 -5.735 -2.033 -8.021 452 HG SER 58 HG SER 58 -7.388 -2.522 -10.086 453 H GLU 59 H GLU 59 -6.540 1.539 -10.783 454 HA GLU 59 HA GLU 59 -8.648 2.394 -8.977 455 HB2 GLU 59 1HB GLU 59 -7.063 4.102 -9.967 456 HB3 GLU 59 2HB GLU 59 -7.687 3.709 -11.556 457 HG2 GLU 59 1HG GLU 59 -10.021 4.289 -10.700 458 HG3 GLU 59 2HG GLU 59 -9.281 4.843 -9.211 459 H ASN 60 H ASN 60 -10.250 0.805 -9.252 460 HA ASN 60 HA ASN 60 -11.879 -0.277 -10.188 461 HB2 ASN 60 1HB ASN 60 -11.720 2.068 -12.139 462 HB3 ASN 60 2HB ASN 60 -12.956 0.835 -12.294 463 HD21 ASN 60 1HD2 ASN 60 -11.553 3.240 -10.130 464 HD22 ASN 60 2HD2 ASN 60 -12.964 3.547 -9.173 465 H ASN 61 H ASN 61 -11.397 -2.278 -11.108 466 HA ASN 61 HA ASN 61 -10.183 -3.707 -12.312 467 HB2 ASN 61 1HB ASN 61 -12.065 -2.224 -14.173 468 HB3 ASN 61 2HB ASN 61 -11.033 -3.469 -14.848 469 HD21 ASN 61 1HD2 ASN 61 -13.694 -2.730 -12.758 470 HD22 ASN 61 2HD2 ASN 61 -14.257 -4.342 -12.471 471 H ALA 62 H ALA 62 -8.430 -1.576 -11.815 472 HA ALA 62 HA ALA 62 -7.288 -0.916 -14.435 473 HB1 ALA 62 1HB ALA 62 -7.144 1.137 -13.534 474 HB2 ALA 62 2HB ALA 62 -7.699 0.530 -11.955 475 HB3 ALA 62 3HB ALA 62 -5.967 0.492 -12.365 476 HA PRO 63 HA PRO 63 -3.989 -3.584 -13.585 477 HB2 PRO 63 1HB PRO 63 -2.062 -2.574 -15.238 478 HB3 PRO 63 2HB PRO 63 -3.353 -3.617 -15.798 479 HG2 PRO 63 1HG PRO 63 -3.047 -0.698 -16.146 480 HG3 PRO 63 2HG PRO 63 -4.072 -1.807 -17.034 481 HD2 PRO 63 1HD PRO 63 -4.895 0.025 -14.986 482 HD3 PRO 63 2HD PRO 63 -5.898 -1.165 -15.793 483 H TRP 64 H TRP 64 -2.442 -3.960 -12.082 484 HA TRP 64 HA TRP 64 -1.956 -2.120 -10.173 485 HB2 TRP 64 1HB TRP 64 -0.022 -4.236 -11.134 486 HB3 TRP 64 2HB TRP 64 0.022 -3.433 -9.576 487 HD1 TRP 64 HD TRP 64 -1.104 -6.595 -10.934 488 HE1 TRP 64 1HE TRP 64 -2.948 -7.822 -9.500 489 HE3 TRP 64 3HE TRP 64 -2.380 -2.541 -8.143 490 HZ2 TRP 64 2HZ TRP 64 -4.695 -6.978 -7.407 491 HZ3 TRP 64 3HZ TRP 64 -4.164 -2.828 -6.426 492 HH2 TRP 64 HH TRP 64 -5.309 -4.952 -6.037 493 H THR 65 H THR 65 -1.325 -0.018 -10.504 494 HA THR 65 HA THR 65 0.821 0.444 -12.459 495 HB THR 65 HB THR 65 -1.628 1.552 -12.443 496 HG1 THR 65 1HG THR 65 0.993 2.850 -12.687 497 HG21 THR 65 1HG2 THR 65 -1.589 3.753 -11.343 498 HG22 THR 65 2HG2 THR 65 -1.342 2.504 -10.100 499 HG23 THR 65 3HG2 THR 65 0.043 3.443 -10.706 500 H VAL 66 H VAL 66 2.823 0.717 -11.722 501 HA VAL 66 HA VAL 66 3.431 0.807 -9.021 502 HB VAL 66 HB VAL 66 5.022 1.699 -11.433 503 HG11 VAL 66 1HG1 VAL 66 5.873 1.120 -8.581 504 HG12 VAL 66 2HG1 VAL 66 7.004 1.174 -9.954 505 HG13 VAL 66 3HG1 VAL 66 6.082 2.628 -9.503 506 HG21 VAL 66 1HG2 VAL 66 6.037 -0.722 -10.625 507 HG22 VAL 66 2HG2 VAL 66 4.295 -0.932 -10.325 508 HG23 VAL 66 3HG2 VAL 66 4.871 -0.487 -11.950 509 H LEU 67 H LEU 67 2.486 2.361 -7.738 510 HA LEU 67 HA LEU 67 2.401 5.087 -8.679 511 HB2 LEU 67 1HB LEU 67 1.168 3.478 -6.552 512 HB3 LEU 67 2HB LEU 67 1.566 5.116 -6.074 513 HG LEU 67 HG LEU 67 -0.299 4.209 -8.267 514 HD11 LEU 67 1HD1 LEU 67 -1.177 4.338 -5.964 515 HD12 LEU 67 2HD1 LEU 67 -0.720 6.058 -5.903 516 HD13 LEU 67 3HD1 LEU 67 -1.952 5.505 -7.062 517 HD21 LEU 67 1HD2 LEU 67 1.167 6.793 -8.015 518 HD22 LEU 67 2HD2 LEU 67 0.612 5.918 -9.463 519 HD23 LEU 67 3HD2 LEU 67 -0.549 6.849 -8.487 520 H LEU 68 H LEU 68 3.797 3.353 -5.801 521 HA LEU 68 HA LEU 68 5.807 5.492 -5.710 522 HB2 LEU 68 1HB LEU 68 4.079 4.433 -3.726 523 HB3 LEU 68 2HB LEU 68 5.706 3.931 -3.312 524 HG LEU 68 HG LEU 68 4.837 6.790 -3.825 525 HD11 LEU 68 1HD1 LEU 68 4.830 7.155 -1.501 526 HD12 LEU 68 2HD1 LEU 68 3.931 5.638 -1.740 527 HD13 LEU 68 3HD1 LEU 68 5.614 5.593 -1.165 528 HD21 LEU 68 1HD2 LEU 68 7.012 7.473 -3.124 529 HD22 LEU 68 2HD2 LEU 68 7.466 5.807 -2.694 530 HD23 LEU 68 3HD2 LEU 68 7.218 6.250 -4.400 531 H ALA 69 H ALA 69 7.644 4.866 -6.711 532 HA ALA 69 HA ALA 69 8.284 2.052 -6.841 533 HB1 ALA 69 1HB ALA 69 9.095 2.777 -8.806 534 HB2 ALA 69 2HB ALA 69 8.862 4.475 -8.325 535 HB3 ALA 69 3HB ALA 69 10.375 3.633 -7.912 536 H SER 70 H SER 70 9.583 5.099 -5.392 537 HA SER 70 HA SER 70 11.525 3.474 -3.984 538 HB2 SER 70 1HB SER 70 12.838 5.247 -4.487 539 HB3 SER 70 2HB SER 70 11.463 6.194 -5.019 540 HG SER 70 HG SER 70 12.855 6.837 -2.993 541 H VAL 71 H VAL 71 10.478 2.533 -2.221 542 HA VAL 71 HA VAL 71 9.048 4.404 -0.460 543 HB VAL 71 HB VAL 71 8.505 1.554 -1.241 544 HG11 VAL 71 1HG1 VAL 71 8.538 1.503 1.184 545 HG12 VAL 71 2HG1 VAL 71 7.511 2.955 1.263 546 HG13 VAL 71 3HG1 VAL 71 6.853 1.434 0.614 547 HG21 VAL 71 1HG2 VAL 71 6.448 2.316 -1.960 548 HG22 VAL 71 2HG2 VAL 71 6.439 3.694 -0.833 549 HG23 VAL 71 3HG2 VAL 71 7.466 3.739 -2.286 550 H ASP 72 H ASP 72 9.347 4.089 1.843 551 HA ASP 72 HA ASP 72 12.001 3.471 2.448 552 HB2 ASP 72 1HB ASP 72 9.653 4.567 3.778 553 HB3 ASP 72 2HB ASP 72 10.431 3.411 4.841 554 HA PRO 73 HA PRO 73 11.352 -0.821 3.206 555 HB2 PRO 73 1HB PRO 73 13.822 -1.455 4.187 556 HB3 PRO 73 2HB PRO 73 13.469 -1.352 2.473 557 HG2 PRO 73 1HG PRO 73 14.948 0.557 4.178 558 HG3 PRO 73 2HG PRO 73 14.947 0.418 2.431 559 HD2 PRO 73 1HD PRO 73 13.567 2.385 3.998 560 HD3 PRO 73 2HD PRO 73 13.474 2.175 2.261 561 H LYS 74 H LYS 74 12.175 1.454 5.615 562 HA LYS 74 HA LYS 74 11.537 -0.491 7.692 563 HB2 LYS 74 1HB LYS 74 13.003 2.103 7.579 564 HB3 LYS 74 2HB LYS 74 12.149 1.735 9.063 565 HG2 LYS 74 1HG LYS 74 13.566 0.007 9.613 566 HG3 LYS 74 2HG LYS 74 13.694 -0.556 7.959 567 HD2 LYS 74 1HD LYS 74 15.875 0.294 8.674 568 HD3 LYS 74 2HD LYS 74 15.234 1.356 7.437 569 HE2 LYS 74 1HE LYS 74 14.202 2.560 9.682 570 HE3 LYS 74 2HE LYS 74 15.673 1.882 10.349 571 HZ1 LYS 74 1HZ LYS 74 16.514 3.761 9.511 572 HZ2 LYS 74 2HZ LYS 74 16.600 2.914 8.118 573 HZ3 LYS 74 3HZ LYS 74 15.360 3.945 8.370 574 H ALA 75 H ALA 75 9.793 1.216 5.558 575 HA ALA 75 HA ALA 75 7.938 2.341 7.513 576 HB1 ALA 75 1HB ALA 75 6.863 2.998 5.145 577 HB2 ALA 75 2HB ALA 75 8.196 3.931 5.868 578 HB3 ALA 75 3HB ALA 75 8.537 2.726 4.603 579 H THR 76 H THR 76 5.913 1.474 7.895 580 HA THR 76 HA THR 76 5.292 -0.982 6.386 581 HB THR 76 HB THR 76 4.051 -1.462 8.689 582 HG1 THR 76 1HG THR 76 5.451 -0.311 10.361 583 HG21 THR 76 1HG2 THR 76 6.864 -1.554 9.440 584 HG22 THR 76 2HG2 THR 76 5.787 -2.909 9.023 585 HG23 THR 76 3HG2 THR 76 6.688 -2.062 7.743 586 H SER 77 H SER 77 4.494 2.232 6.710 587 HA SER 77 HA SER 77 1.817 1.613 5.792 588 HB2 SER 77 1HB SER 77 1.046 3.707 7.125 589 HB3 SER 77 2HB SER 77 1.274 2.210 8.007 590 HG SER 77 HG SER 77 3.077 4.467 7.872 591 H VAL 78 H VAL 78 0.890 3.359 4.428 592 HA VAL 78 HA VAL 78 2.671 5.528 3.739 593 HB VAL 78 HB VAL 78 3.381 3.508 2.407 594 HG11 VAL 78 1HG1 VAL 78 2.009 2.789 0.536 595 HG12 VAL 78 2HG1 VAL 78 1.105 2.579 2.055 596 HG13 VAL 78 3HG1 VAL 78 0.735 3.950 0.982 597 HG21 VAL 78 1HG2 VAL 78 2.427 5.463 0.388 598 HG22 VAL 78 2HG2 VAL 78 3.348 6.139 1.753 599 HG23 VAL 78 3HG2 VAL 78 4.070 4.872 0.732 600 H THR 79 H THR 79 1.565 7.138 2.341 601 HA THR 79 HA THR 79 -1.362 6.850 2.531 602 HB THR 79 HB THR 79 0.357 9.365 2.864 603 HG1 THR 79 1HG THR 79 -0.076 8.936 5.092 604 HG21 THR 79 1HG2 THR 79 -1.664 10.463 3.542 605 HG22 THR 79 2HG2 THR 79 -2.132 9.573 2.073 606 HG23 THR 79 3HG2 THR 79 -2.548 8.924 3.677 607 H VAL 80 H VAL 80 -2.579 7.269 0.749 608 HA VAL 80 HA VAL 80 -1.032 7.973 -1.645 609 HB VAL 80 HB VAL 80 -3.623 6.439 -1.357 610 HG11 VAL 80 1HG1 VAL 80 -3.348 5.929 -3.750 611 HG12 VAL 80 2HG1 VAL 80 -3.512 7.679 -3.468 612 HG13 VAL 80 3HG1 VAL 80 -1.912 6.979 -3.809 613 HG21 VAL 80 1HG2 VAL 80 -1.582 4.853 -2.523 614 HG22 VAL 80 2HG2 VAL 80 -0.881 5.611 -1.073 615 HG23 VAL 80 3HG2 VAL 80 -2.369 4.644 -0.940 616 H LYS 81 H LYS 81 -1.172 10.169 -1.881 617 HA LYS 81 HA LYS 81 -3.769 11.401 -1.369 618 HB2 LYS 81 1HB LYS 81 -1.136 12.784 -1.933 619 HB3 LYS 81 2HB LYS 81 -2.595 13.483 -1.259 620 HG2 LYS 81 1HG LYS 81 -2.162 12.686 0.849 621 HG3 LYS 81 2HG LYS 81 -1.612 11.130 0.259 622 HD2 LYS 81 1HD LYS 81 0.342 13.024 -0.605 623 HD3 LYS 81 2HD LYS 81 -0.033 13.449 1.053 624 HE2 LYS 81 1HE LYS 81 0.657 11.345 1.896 625 HE3 LYS 81 2HE LYS 81 0.442 10.540 0.354 626 HZ1 LYS 81 1HZ LYS 81 2.666 10.812 0.374 627 HZ2 LYS 81 2HZ LYS 81 2.283 12.233 -0.335 628 HZ3 LYS 81 3HZ LYS 81 2.644 12.186 1.257 629 H GLY 82 H GLY 82 -4.672 12.915 -2.967 630 HA2 GLY 82 1HA GLY 82 -5.147 13.619 -5.066 631 HA3 GLY 82 2HA GLY 82 -3.643 12.925 -5.641 632 H LEU 83 H LEU 83 -6.970 12.022 -4.529 633 HA LEU 83 HA LEU 83 -6.884 9.865 -6.515 634 HB2 LEU 83 1HB LEU 83 -7.895 9.752 -3.677 635 HB3 LEU 83 2HB LEU 83 -8.364 8.590 -4.902 636 HG LEU 83 HG LEU 83 -5.559 9.092 -3.871 637 HD11 LEU 83 1HD1 LEU 83 -6.830 6.422 -3.679 638 HD12 LEU 83 2HD1 LEU 83 -5.770 7.284 -2.537 639 HD13 LEU 83 3HD1 LEU 83 -7.500 7.693 -2.628 640 HD21 LEU 83 1HD2 LEU 83 -6.527 7.233 -6.057 641 HD22 LEU 83 2HD2 LEU 83 -5.375 8.583 -6.205 642 HD23 LEU 83 3HD2 LEU 83 -4.929 7.129 -5.280 643 H VAL 84 H VAL 84 -9.196 9.152 -7.114 644 HA VAL 84 HA VAL 84 -10.719 11.599 -7.523 645 HB VAL 84 HB VAL 84 -10.761 8.855 -8.781 646 HG11 VAL 84 1HG1 VAL 84 -12.524 9.585 -10.249 647 HG12 VAL 84 2HG1 VAL 84 -13.067 9.818 -8.570 648 HG13 VAL 84 3HG1 VAL 84 -12.519 11.213 -9.530 649 HG21 VAL 84 1HG2 VAL 84 -8.913 10.424 -9.405 650 HG22 VAL 84 2HG2 VAL 84 -9.969 9.973 -10.765 651 HG23 VAL 84 3HG2 VAL 84 -10.142 11.568 -9.994 652 HA PRO 85 HA PRO 85 -13.610 10.367 -4.539 653 HB2 PRO 85 1HB PRO 85 -15.582 12.184 -5.066 654 HB3 PRO 85 2HB PRO 85 -14.174 12.554 -4.091 655 HG2 PRO 85 1HG PRO 85 -14.768 13.367 -6.870 656 HG3 PRO 85 2HG PRO 85 -13.609 14.053 -5.750 657 HD2 PRO 85 1HD PRO 85 -13.039 12.314 -7.958 658 HD3 PRO 85 2HD PRO 85 -11.896 12.908 -6.769 659 H ALA 86 H ALA 86 -15.442 9.104 -4.167 660 HA ALA 86 HA ALA 86 -16.950 7.596 -4.754 661 HB1 ALA 86 1HB ALA 86 -18.387 9.330 -5.445 662 HB2 ALA 86 2HB ALA 86 -17.388 9.720 -6.865 663 HB3 ALA 86 3HB ALA 86 -18.363 8.231 -6.844 664 H ARG 87 H ARG 87 -14.447 6.742 -5.264 665 HA ARG 87 HA ARG 87 -14.898 5.136 -7.586 666 HB2 ARG 87 1HB ARG 87 -12.657 7.165 -7.380 667 HB3 ARG 87 2HB ARG 87 -12.343 5.655 -8.212 668 HG2 ARG 87 1HG ARG 87 -14.657 6.226 -9.441 669 HG3 ARG 87 2HG ARG 87 -14.270 7.863 -8.948 670 HD2 ARG 87 1HD ARG 87 -11.975 7.571 -10.027 671 HD3 ARG 87 2HD ARG 87 -12.513 6.019 -10.637 672 HE ARG 87 HE ARG 87 -14.496 7.861 -11.415 673 HH11 ARG 87 2HH2 ARG 87 -11.052 7.409 -11.978 674 HH12 ARG 87 1HH2 ARG 87 -11.080 8.154 -13.542 675 HH21 ARG 87 2HH1 ARG 87 -14.533 8.843 -13.478 676 HH22 ARG 87 1HH1 ARG 87 -13.073 8.975 -14.400 677 H SER 88 H SER 88 -13.709 3.121 -7.481 678 HA SER 88 HA SER 88 -12.860 2.508 -4.837 679 HB2 SER 88 1HB SER 88 -13.440 0.406 -5.436 680 HB3 SER 88 2HB SER 88 -13.995 1.080 -6.956 681 HG SER 88 HG SER 88 -11.747 0.771 -7.759 682 H TYR 89 H TYR 89 -10.729 1.773 -4.206 683 HA TYR 89 HA TYR 89 -8.621 2.052 -6.197 684 HB2 TYR 89 1HB TYR 89 -9.139 3.664 -3.649 685 HB3 TYR 89 2HB TYR 89 -7.480 3.396 -4.148 686 HD1 TYR 89 1HD TYR 89 -7.238 3.829 -6.893 687 HD2 TYR 89 2HD TYR 89 -9.970 5.744 -4.216 688 HE1 TYR 89 1HE TYR 89 -7.395 5.819 -8.467 689 HE2 TYR 89 2HE TYR 89 -10.119 7.728 -5.798 690 HH TYR 89 HH TYR 89 -9.116 7.601 -8.945 691 H GLN 90 H GLN 90 -7.207 0.386 -5.999 692 HA GLN 90 HA GLN 90 -7.254 -1.009 -3.441 693 HB2 GLN 90 1HB GLN 90 -6.994 -1.905 -6.290 694 HB3 GLN 90 2HB GLN 90 -6.067 -2.800 -5.104 695 HG2 GLN 90 1HG GLN 90 -8.250 -2.971 -3.726 696 HG3 GLN 90 2HG GLN 90 -9.083 -2.362 -5.143 697 HE21 GLN 90 1HE2 GLN 90 -9.652 -4.818 -4.066 698 HE22 GLN 90 2HE2 GLN 90 -9.173 -6.087 -5.142 699 H PHE 91 H PHE 91 -5.156 -1.938 -2.669 700 HA PHE 91 HA PHE 91 -2.812 -0.645 -3.812 701 HB2 PHE 91 1HB PHE 91 -3.845 -0.520 -0.919 702 HB3 PHE 91 2HB PHE 91 -2.199 -0.091 -1.340 703 HD1 PHE 91 1HD PHE 91 -2.067 1.679 -3.366 704 HD2 PHE 91 2HD PHE 91 -5.356 1.204 -0.727 705 HE1 PHE 91 1HE PHE 91 -2.805 4.026 -3.864 706 HE2 PHE 91 2HE PHE 91 -6.094 3.551 -1.224 707 HZ PHE 91 HZ PHE 91 -4.810 4.934 -2.787 708 H ARG 92 H ARG 92 -0.989 -1.936 -3.740 709 HA ARG 92 HA ARG 92 -0.831 -4.003 -1.801 710 HB2 ARG 92 1HB ARG 92 -0.557 -5.831 -3.575 711 HB3 ARG 92 2HB ARG 92 -2.195 -5.247 -3.362 712 HG2 ARG 92 1HG ARG 92 -2.266 -4.256 -5.444 713 HG3 ARG 92 2HG ARG 92 -0.594 -3.737 -5.375 714 HD2 ARG 92 1HD ARG 92 -0.634 -6.632 -5.454 715 HD3 ARG 92 2HD ARG 92 -1.683 -6.037 -6.725 716 HE ARG 92 HE ARG 92 0.525 -4.434 -7.027 717 HH11 ARG 92 2HH2 ARG 92 0.153 -7.921 -6.734 718 HH12 ARG 92 1HH2 ARG 92 1.555 -8.279 -7.686 719 HH21 ARG 92 2HH1 ARG 92 2.375 -4.906 -8.282 720 HH22 ARG 92 1HH1 ARG 92 2.828 -6.552 -8.572 721 H LEU 93 H LEU 93 1.310 -3.908 -1.201 722 HA LEU 93 HA LEU 93 3.246 -3.284 -3.323 723 HB2 LEU 93 1HB LEU 93 4.563 -2.106 -1.715 724 HB3 LEU 93 2HB LEU 93 2.943 -1.441 -1.751 725 HG LEU 93 HG LEU 93 3.867 -3.419 0.344 726 HD11 LEU 93 1HD1 LEU 93 5.303 -1.593 0.683 727 HD12 LEU 93 2HD1 LEU 93 4.028 -0.406 0.316 728 HD13 LEU 93 3HD1 LEU 93 3.964 -1.342 1.829 729 HD21 LEU 93 1HD2 LEU 93 1.697 -3.491 0.824 730 HD22 LEU 93 2HD2 LEU 93 1.847 -1.804 1.372 731 HD23 LEU 93 3HD2 LEU 93 1.328 -2.156 -0.294 732 H CYS 94 H CYS 94 5.452 -4.224 -2.942 733 HA CYS 94 HA CYS 94 5.230 -6.728 -1.437 734 HB2 CYS 94 1HB CYS 94 6.628 -7.809 -3.190 735 HB3 CYS 94 2HB CYS 94 5.041 -7.329 -3.758 736 HG CYS 94 HG CYS 94 5.839 -4.974 -4.717 737 H ALA 95 H ALA 95 7.536 -7.602 -0.923 738 HA ALA 95 HA ALA 95 9.107 -5.340 0.002 739 HB1 ALA 95 1HB ALA 95 9.281 -8.330 0.555 740 HB2 ALA 95 2HB ALA 95 10.251 -7.072 1.356 741 HB3 ALA 95 3HB ALA 95 8.487 -7.116 1.587 742 H VAL 96 H VAL 96 10.987 -4.690 -0.944 743 HA VAL 96 HA VAL 96 12.227 -6.572 -2.825 744 HB VAL 96 HB VAL 96 11.951 -3.589 -3.221 745 HG11 VAL 96 1HG1 VAL 96 13.585 -3.917 -4.712 746 HG12 VAL 96 2HG1 VAL 96 13.499 -5.685 -4.522 747 HG13 VAL 96 3HG1 VAL 96 12.414 -4.859 -5.666 748 HG21 VAL 96 1HG2 VAL 96 9.856 -5.319 -3.384 749 HG22 VAL 96 2HG2 VAL 96 10.020 -3.845 -4.369 750 HG23 VAL 96 3HG2 VAL 96 10.502 -5.422 -5.039 751 H ASN 97 H ASN 97 14.360 -6.932 -2.434 752 HA ASN 97 HA ASN 97 15.733 -4.901 -0.871 753 HB2 ASN 97 1HB ASN 97 16.984 -7.051 0.120 754 HB3 ASN 97 2HB ASN 97 15.483 -6.496 0.833 755 HD21 ASN 97 1HD2 ASN 97 15.856 -8.914 1.435 756 HD22 ASN 97 2HD2 ASN 97 14.990 -10.068 0.477 757 H ASP 98 H ASP 98 18.291 -5.963 -0.810 758 HA ASP 98 HA ASP 98 19.294 -5.486 -3.254 759 HB2 ASP 98 1HB ASP 98 20.695 -5.629 -1.255 760 HB3 ASP 98 2HB ASP 98 20.327 -7.331 -1.056 761 H VAL 99 H VAL 99 18.773 -8.760 -1.720 762 HA VAL 99 HA VAL 99 19.532 -10.386 -3.727 763 HB VAL 99 HB VAL 99 18.197 -12.039 -2.745 764 HG11 VAL 99 1HG1 VAL 99 19.755 -10.385 -1.193 765 HG12 VAL 99 2HG1 VAL 99 18.232 -10.443 -0.273 766 HG13 VAL 99 3HG1 VAL 99 19.085 -11.952 -0.680 767 HG21 VAL 99 1HG2 VAL 99 16.368 -9.833 -1.738 768 HG22 VAL 99 2HG2 VAL 99 16.006 -11.017 -3.017 769 HG23 VAL 99 3HG2 VAL 99 16.214 -11.560 -1.335 770 H GLY 100 H GLY 100 16.278 -8.820 -3.379 771 HA2 GLY 100 1HA GLY 100 15.866 -8.128 -5.967 772 HA3 GLY 100 2HA GLY 100 15.410 -9.820 -5.939 773 H LYS 101 H LYS 101 13.167 -9.580 -6.183 774 HA LYS 101 HA LYS 101 11.851 -8.146 -3.982 775 HB2 LYS 101 1HB LYS 101 11.435 -6.909 -5.968 776 HB3 LYS 101 2HB LYS 101 11.112 -8.354 -6.905 777 HG2 LYS 101 1HG LYS 101 9.185 -8.756 -5.124 778 HG3 LYS 101 2HG LYS 101 9.377 -7.046 -4.791 779 HD2 LYS 101 1HD LYS 101 8.876 -8.201 -7.575 780 HD3 LYS 101 2HD LYS 101 7.617 -7.560 -6.538 781 HE2 LYS 101 1HE LYS 101 8.552 -5.330 -6.609 782 HE3 LYS 101 2HE LYS 101 10.056 -5.901 -7.303 783 HZ1 LYS 101 1HZ LYS 101 8.469 -6.734 -9.153 784 HZ2 LYS 101 2HZ LYS 101 7.474 -5.573 -8.582 785 HZ3 LYS 101 3HZ LYS 101 8.960 -5.177 -9.130 786 H GLY 102 H GLY 102 10.063 -9.166 -2.979 787 HA2 GLY 102 1HA GLY 102 10.075 -12.073 -3.308 788 HA3 GLY 102 2HA GLY 102 9.421 -11.155 -1.966 789 H GLN 103 H GLN 103 7.225 -10.945 -1.859 790 HA GLN 103 HA GLN 103 5.798 -11.089 -4.395 791 HB2 GLN 103 1HB GLN 103 4.075 -12.494 -3.364 792 HB3 GLN 103 2HB GLN 103 5.637 -13.275 -3.220 793 HG2 GLN 103 1HG GLN 103 5.260 -11.563 -0.915 794 HG3 GLN 103 2HG GLN 103 3.820 -12.541 -1.114 795 HE21 GLN 103 1HE2 GLN 103 3.830 -14.607 -0.543 796 HE22 GLN 103 2HE2 GLN 103 5.207 -15.519 -0.023 797 H PHE 104 H PHE 104 3.382 -10.320 -4.030 798 HA PHE 104 HA PHE 104 3.591 -7.848 -2.498 799 HB2 PHE 104 1HB PHE 104 1.810 -8.974 -4.728 800 HB3 PHE 104 2HB PHE 104 1.380 -7.486 -3.908 801 HD1 PHE 104 1HD PHE 104 3.956 -9.076 -6.029 802 HD2 PHE 104 2HD PHE 104 2.436 -5.437 -4.460 803 HE1 PHE 104 1HE PHE 104 5.425 -7.784 -7.602 804 HE2 PHE 104 2HE PHE 104 3.905 -4.146 -6.033 805 HZ PHE 104 HZ PHE 104 5.382 -5.334 -7.585 806 H SER 105 H SER 105 1.422 -7.075 -1.495 807 HA SER 105 HA SER 105 0.490 -9.280 0.114 808 HB2 SER 105 1HB SER 105 -0.645 -7.329 1.397 809 HB3 SER 105 2HB SER 105 1.102 -7.446 1.466 810 HG SER 105 HG SER 105 -0.515 -5.470 0.321 811 H LYS 106 H LYS 106 -1.867 -9.571 0.529 812 HA LYS 106 HA LYS 106 -3.343 -9.741 -1.783 813 HB2 LYS 106 1HB LYS 106 -3.934 -9.903 1.141 814 HB3 LYS 106 2HB LYS 106 -5.293 -9.766 0.045 815 HG2 LYS 106 1HG LYS 106 -3.067 -11.836 -0.254 816 HG3 LYS 106 2HG LYS 106 -4.596 -12.154 0.541 817 HD2 LYS 106 1HD LYS 106 -5.139 -10.939 -2.033 818 HD3 LYS 106 2HD LYS 106 -4.008 -12.256 -2.271 819 HE2 LYS 106 1HE LYS 106 -5.518 -13.806 -1.044 820 HE3 LYS 106 2HE LYS 106 -6.634 -12.494 -0.723 821 HZ1 LYS 106 1HZ LYS 106 -5.908 -13.539 -3.371 822 HZ2 LYS 106 2HZ LYS 106 -7.348 -13.704 -2.619 823 HZ3 LYS 106 3HZ LYS 106 -6.859 -12.233 -3.132 824 H ASP 107 H ASP 107 -5.408 -8.598 -2.354 825 HA ASP 107 HA ASP 107 -4.867 -5.859 -2.535 826 HB2 ASP 107 1HB ASP 107 -7.171 -5.772 -3.578 827 HB3 ASP 107 2HB ASP 107 -6.100 -6.951 -4.308 828 H THR 108 H THR 108 -5.162 -4.447 -0.801 829 HA THR 108 HA THR 108 -6.509 -5.033 1.527 830 HB THR 108 HB THR 108 -6.354 -2.534 1.865 831 HG1 THR 108 1HG THR 108 -6.893 -1.992 -0.369 832 HG21 THR 108 1HG2 THR 108 -4.157 -4.299 1.207 833 HG22 THR 108 2HG2 THR 108 -3.829 -2.707 0.480 834 HG23 THR 108 3HG2 THR 108 -4.122 -2.843 2.230 835 H GLU 109 H GLU 109 -8.514 -4.331 2.451 836 HA GLU 109 HA GLU 109 -10.685 -4.999 1.076 837 HB2 GLU 109 1HB GLU 109 -10.119 -3.560 3.532 838 HB3 GLU 109 2HB GLU 109 -11.528 -2.854 2.766 839 HG2 GLU 109 1HG GLU 109 -12.711 -4.949 2.750 840 HG3 GLU 109 2HG GLU 109 -11.255 -5.868 3.076 841 H ARG 110 H ARG 110 -11.753 -4.255 -0.704 842 HA ARG 110 HA ARG 110 -11.010 -2.351 -2.306 843 HB2 ARG 110 1HB ARG 110 -13.194 -3.927 -2.231 844 HB3 ARG 110 2HB ARG 110 -13.986 -2.431 -1.778 845 HG2 ARG 110 1HG ARG 110 -12.382 -1.636 -3.923 846 HG3 ARG 110 2HG ARG 110 -12.869 -3.252 -4.396 847 HD2 ARG 110 1HD ARG 110 -15.261 -2.205 -3.438 848 HD3 ARG 110 2HD ARG 110 -14.510 -0.785 -4.138 849 HE ARG 110 HE ARG 110 -14.259 -3.015 -5.951 850 HH11 ARG 110 2HH2 ARG 110 -16.618 -0.709 -4.726 851 HH12 ARG 110 1HH2 ARG 110 -17.611 -0.777 -6.144 852 HH21 ARG 110 2HH1 ARG 110 -15.568 -3.105 -7.822 853 HH22 ARG 110 1HH1 ARG 110 -17.010 -2.150 -7.917 854 H VAL 111 H VAL 111 -10.192 -0.373 -1.536 855 HA VAL 111 HA VAL 111 -11.825 1.167 0.300 856 HB VAL 111 HB VAL 111 -9.126 1.792 -0.909 857 HG11 VAL 111 1HG1 VAL 111 -9.970 3.788 -0.014 858 HG12 VAL 111 2HG1 VAL 111 -10.741 2.959 1.360 859 HG13 VAL 111 3HG1 VAL 111 -8.970 3.125 1.301 860 HG21 VAL 111 1HG2 VAL 111 -8.758 -0.241 0.209 861 HG22 VAL 111 2HG2 VAL 111 -8.309 1.000 1.404 862 HG23 VAL 111 3HG2 VAL 111 -9.880 0.172 1.527 863 H SER 112 H SER 112 -13.377 2.505 -0.448 864 HA SER 112 HA SER 112 -12.981 3.538 -3.144 865 HB2 SER 112 1HB SER 112 -15.288 3.449 -3.495 866 HB3 SER 112 2HB SER 112 -15.044 2.048 -2.471 867 HG SER 112 HG SER 112 -16.434 4.418 -1.954 868 H LEU 113 H LEU 113 -13.216 5.801 -3.520 869 HA LEU 113 HA LEU 113 -12.995 7.395 -1.101 870 HB2 LEU 113 1HB LEU 113 -11.719 7.408 -3.573 871 HB3 LEU 113 2HB LEU 113 -12.784 8.798 -3.640 872 HG LEU 113 HG LEU 113 -11.546 8.911 -1.104 873 HD11 LEU 113 1HD1 LEU 113 -9.418 8.554 -3.218 874 HD12 LEU 113 2HD1 LEU 113 -9.222 8.733 -1.457 875 HD13 LEU 113 3HD1 LEU 113 -9.925 7.241 -2.128 876 HD21 LEU 113 1HD2 LEU 113 -11.178 11.045 -1.707 877 HD22 LEU 113 2HD2 LEU 113 -10.416 10.595 -3.250 878 HD23 LEU 113 3HD2 LEU 113 -12.190 10.625 -3.110 879 HA PRO 114 HA PRO 114 -17.033 8.884 -1.443 880 HB2 PRO 114 1HB PRO 114 -16.855 11.181 0.028 881 HB3 PRO 114 2HB PRO 114 -17.029 9.593 0.748 882 HG2 PRO 114 1HG PRO 114 -14.622 11.302 0.586 883 HG3 PRO 114 2HG PRO 114 -14.932 9.940 1.644 884 HD2 PRO 114 1HD PRO 114 -13.276 9.953 -0.698 885 HD3 PRO 114 2HD PRO 114 -13.679 8.565 0.293 886 H GLU 115 H GLU 115 -18.398 10.039 -2.745 887 HA GLU 115 HA GLU 115 -17.292 11.168 -4.940 888 HB2 GLU 115 1HB GLU 115 -19.795 10.532 -4.254 889 HB3 GLU 115 2HB GLU 115 -19.917 12.248 -3.917 890 HG2 GLU 115 1HG GLU 115 -18.592 11.659 -6.504 891 HG3 GLU 115 2HG GLU 115 -20.238 11.064 -6.421 892 H SER 116 H SER 116 -17.769 12.567 -1.732 893 HA SER 116 HA SER 116 -17.192 14.463 -0.849 894 HB2 SER 116 1HB SER 116 -15.234 14.039 -2.911 895 HB3 SER 116 2HB SER 116 -15.593 15.754 -2.878 896 HG SER 116 HG SER 116 -14.578 15.948 -0.999 897 H GLY 117 H GLY 117 -18.131 16.531 -0.663 898 HA2 GLY 117 1HA GLY 117 -19.098 17.872 -3.060 899 HA3 GLY 117 2HA GLY 117 -20.326 17.274 -1.963 900 HA PRO 118 HA PRO 118 -18.520 21.304 -0.475 901 HB2 PRO 118 1HB PRO 118 -20.219 23.153 -1.553 902 HB3 PRO 118 2HB PRO 118 -18.654 22.773 -2.243 903 HG2 PRO 118 1HG PRO 118 -21.339 21.979 -3.190 904 HG3 PRO 118 2HG PRO 118 -19.822 21.981 -4.067 905 HD2 PRO 118 1HD PRO 118 -21.167 19.697 -2.970 906 HD3 PRO 118 2HD PRO 118 -19.595 19.716 -3.744 907 H SER 119 H SER 119 -18.979 21.869 1.566 908 HA SER 119 HA SER 119 -21.797 21.966 2.185 909 HB2 SER 119 1HB SER 119 -21.338 19.695 2.796 910 HB3 SER 119 2HB SER 119 -19.789 20.108 3.503 911 HG SER 119 HG SER 119 -20.803 21.054 5.278 912 H SER 120 H SER 120 -22.212 23.756 3.450 913 HA SER 120 HA SER 120 -20.014 25.348 4.227 914 HB2 SER 120 1HB SER 120 -22.631 25.851 3.573 915 HB3 SER 120 2HB SER 120 -22.721 25.974 5.318 916 HG SER 120 HG SER 120 -20.539 27.333 4.737 917 H GLY 121 H GLY 121 -18.793 24.262 5.837 918 HA2 GLY 121 1HA GLY 121 -18.457 24.340 8.191 919 HA3 GLY 121 2HA GLY 121 -20.161 24.017 8.440 Start of MODEL 9 1 H1 GLY 1 H GLY 1 3.493 -18.519 15.367 2 HA2 GLY 1 1HA GLY 1 2.781 -21.231 14.547 3 HA3 GLY 1 2HA GLY 1 2.911 -19.807 13.533 4 H SER 2 H SER 2 4.673 -22.456 15.112 5 HA SER 2 HA SER 2 6.885 -21.862 13.328 6 HB2 SER 2 1HB SER 2 7.101 -22.507 16.299 7 HB3 SER 2 2HB SER 2 8.460 -22.615 15.198 8 HG SER 2 HG SER 2 6.910 -20.247 15.814 9 H SER 3 H SER 3 8.119 -23.791 12.695 10 HA SER 3 HA SER 3 6.907 -26.284 13.551 11 HB2 SER 3 1HB SER 3 6.715 -25.087 10.885 12 HB3 SER 3 2HB SER 3 7.508 -26.648 10.810 13 HG SER 3 HG SER 3 5.501 -27.409 10.850 14 H GLY 4 H GLY 4 8.336 -28.215 12.646 15 HA2 GLY 4 1HA GLY 4 10.917 -27.951 13.645 16 HA3 GLY 4 2HA GLY 4 10.333 -29.241 12.612 17 H SER 5 H SER 5 12.999 -28.199 12.472 18 HA SER 5 HA SER 5 12.863 -26.815 9.907 19 HB2 SER 5 1HB SER 5 14.769 -26.577 12.236 20 HB3 SER 5 2HB SER 5 15.371 -26.250 10.623 21 HG SER 5 HG SER 5 13.897 -24.555 10.375 22 H SER 6 H SER 6 14.554 -27.440 8.303 23 HA SER 6 HA SER 6 16.194 -29.655 8.825 24 HB2 SER 6 1HB SER 6 13.592 -30.121 7.335 25 HB3 SER 6 2HB SER 6 15.001 -31.107 6.998 26 HG SER 6 HG SER 6 14.912 -31.167 9.609 27 H GLY 7 H GLY 7 17.950 -28.889 7.699 28 HA2 GLY 7 1HA GLY 7 17.678 -28.420 4.850 29 HA3 GLY 7 2HA GLY 7 18.098 -27.006 5.796 30 H ARG 8 H ARG 8 20.173 -26.994 4.612 31 HA ARG 8 HA ARG 8 21.998 -28.896 5.836 32 HB2 ARG 8 1HB ARG 8 23.334 -28.798 3.657 33 HB3 ARG 8 2HB ARG 8 21.798 -29.633 3.538 34 HG2 ARG 8 1HG ARG 8 21.325 -26.826 3.037 35 HG3 ARG 8 2HG ARG 8 22.691 -27.325 2.060 36 HD2 ARG 8 1HD ARG 8 20.613 -29.377 1.976 37 HD3 ARG 8 2HD ARG 8 19.930 -27.821 1.548 38 HE ARG 8 HE ARG 8 21.690 -29.382 -0.086 39 HH11 ARG 8 2HH2 ARG 8 21.145 -26.039 0.868 40 HH12 ARG 8 1HH2 ARG 8 21.809 -25.381 -0.589 41 HH21 ARG 8 2HH1 ARG 8 22.566 -28.514 -2.010 42 HH22 ARG 8 1HH1 ARG 8 22.623 -26.798 -2.237 43 H SER 9 H SER 9 24.385 -28.031 5.649 44 HA SER 9 HA SER 9 24.298 -25.328 6.563 45 HB2 SER 9 1HB SER 9 26.053 -27.625 6.837 46 HB3 SER 9 2HB SER 9 26.999 -26.238 6.332 47 HG SER 9 HG SER 9 25.604 -26.695 8.751 48 H ALA 10 H ALA 10 26.314 -23.884 5.760 49 HA ALA 10 HA ALA 10 27.229 -24.245 3.134 50 HB1 ALA 10 1HB ALA 10 25.274 -23.720 2.076 51 HB2 ALA 10 2HB ALA 10 24.609 -22.875 3.495 52 HB3 ALA 10 3HB ALA 10 25.781 -22.053 2.438 53 H HIS 11 H HIS 11 28.146 -21.978 2.317 54 HA HIS 11 HA HIS 11 29.273 -20.730 4.711 55 HB2 HIS 11 1HB HIS 11 31.241 -20.318 3.510 56 HB3 HIS 11 2HB HIS 11 30.779 -21.953 3.078 57 HD1 HIS 11 1HD HIS 11 29.585 -22.231 0.651 58 HD2 HIS 11 2HD HIS 11 31.515 -18.579 1.380 59 HE1 HIS 11 1HE HIS 11 29.914 -21.129 -1.627 60 H LEU 12 H LEU 12 29.566 -18.383 4.719 61 HA LEU 12 HA LEU 12 28.824 -16.320 4.469 62 HB2 LEU 12 1HB LEU 12 29.093 -17.352 1.750 63 HB3 LEU 12 2HB LEU 12 27.939 -16.038 1.865 64 HG LEU 12 HG LEU 12 30.576 -15.651 3.207 65 HD11 LEU 12 1HD1 LEU 12 31.591 -16.441 1.314 66 HD12 LEU 12 2HD1 LEU 12 30.224 -16.010 0.259 67 HD13 LEU 12 3HD1 LEU 12 31.330 -14.744 0.845 68 HD21 LEU 12 1HD2 LEU 12 29.310 -13.770 3.473 69 HD22 LEU 12 2HD2 LEU 12 30.128 -13.367 1.944 70 HD23 LEU 12 3HD2 LEU 12 28.458 -13.982 1.924 71 H ARG 13 H ARG 13 26.774 -14.950 3.689 72 HA ARG 13 HA ARG 13 24.577 -16.413 4.780 73 HB2 ARG 13 1HB ARG 13 24.820 -13.505 3.855 74 HB3 ARG 13 2HB ARG 13 23.416 -14.165 4.670 75 HG2 ARG 13 1HG ARG 13 24.397 -13.879 6.693 76 HG3 ARG 13 2HG ARG 13 25.762 -14.867 6.211 77 HD2 ARG 13 1HD ARG 13 26.869 -12.912 5.175 78 HD3 ARG 13 2HD ARG 13 25.472 -11.907 5.504 79 HE ARG 13 HE ARG 13 26.228 -11.648 7.695 80 HH11 ARG 13 2HH2 ARG 13 27.684 -14.550 6.338 81 HH12 ARG 13 1HH2 ARG 13 28.689 -14.845 7.717 82 HH21 ARG 13 2HH1 ARG 13 27.554 -12.037 9.515 83 HH22 ARG 13 1HH1 ARG 13 28.615 -13.406 9.537 84 H VAL 14 H VAL 14 22.517 -16.733 3.695 85 HA VAL 14 HA VAL 14 22.805 -16.803 0.796 86 HB VAL 14 HB VAL 14 22.126 -18.772 2.317 87 HG11 VAL 14 1HG1 VAL 14 20.396 -17.431 3.561 88 HG12 VAL 14 2HG1 VAL 14 19.404 -17.453 2.083 89 HG13 VAL 14 3HG1 VAL 14 19.810 -18.978 2.905 90 HG21 VAL 14 1HG2 VAL 14 22.019 -18.679 -0.194 91 HG22 VAL 14 2HG2 VAL 14 20.814 -19.751 0.560 92 HG23 VAL 14 3HG2 VAL 14 20.326 -18.149 -0.045 93 H ARG 15 H ARG 15 21.697 -15.457 -0.558 94 HA ARG 15 HA ARG 15 20.160 -13.415 0.727 95 HB2 ARG 15 1HB ARG 15 21.322 -13.854 -2.032 96 HB3 ARG 15 2HB ARG 15 20.015 -12.698 -1.864 97 HG2 ARG 15 1HG ARG 15 21.371 -11.622 0.047 98 HG3 ARG 15 2HG ARG 15 22.708 -12.649 -0.433 99 HD2 ARG 15 1HD ARG 15 21.636 -11.381 -2.810 100 HD3 ARG 15 2HD ARG 15 21.895 -10.145 -1.594 101 HE ARG 15 HE ARG 15 24.221 -10.529 -1.699 102 HH11 ARG 15 2HH2 ARG 15 22.498 -13.047 -3.453 103 HH12 ARG 15 1HH2 ARG 15 23.929 -13.696 -4.182 104 HH21 ARG 15 2HH1 ARG 15 26.109 -11.384 -2.661 105 HH22 ARG 15 1HH1 ARG 15 25.997 -12.744 -3.728 106 H GLN 16 H GLN 16 18.191 -14.475 1.350 107 HA GLN 16 HA GLN 16 16.740 -15.820 -0.749 108 HB2 GLN 16 1HB GLN 16 16.996 -16.253 2.002 109 HB3 GLN 16 2HB GLN 16 15.396 -15.553 1.863 110 HG2 GLN 16 1HG GLN 16 15.224 -17.986 1.636 111 HG3 GLN 16 2HG GLN 16 14.812 -17.240 0.105 112 HE21 GLN 16 1HE2 GLN 16 17.325 -18.882 1.933 113 HE22 GLN 16 2HE2 GLN 16 18.243 -19.483 0.593 114 H LEU 17 H LEU 17 14.565 -15.203 -1.384 115 HA LEU 17 HA LEU 17 14.238 -12.388 -1.502 116 HB2 LEU 17 1HB LEU 17 12.554 -14.724 -2.394 117 HB3 LEU 17 2HB LEU 17 12.068 -13.057 -2.630 118 HG LEU 17 HG LEU 17 14.592 -14.317 -3.741 119 HD11 LEU 17 1HD1 LEU 17 12.869 -15.299 -4.961 120 HD12 LEU 17 2HD1 LEU 17 11.869 -13.826 -4.929 121 HD13 LEU 17 3HD1 LEU 17 13.327 -13.890 -5.949 122 HD21 LEU 17 1HD2 LEU 17 13.949 -11.593 -3.309 123 HD22 LEU 17 2HD2 LEU 17 15.331 -12.279 -4.197 124 HD23 LEU 17 3HD2 LEU 17 13.822 -11.892 -5.059 125 HA PRO 18 HA PRO 18 11.857 -11.852 2.064 126 HB2 PRO 18 1HB PRO 18 10.754 -9.406 1.543 127 HB3 PRO 18 2HB PRO 18 12.383 -9.612 2.155 128 HG2 PRO 18 1HG PRO 18 11.506 -8.907 -0.578 129 HG3 PRO 18 2HG PRO 18 13.085 -8.705 0.154 130 HD2 PRO 18 1HD PRO 18 12.310 -10.729 -1.724 131 HD3 PRO 18 2HD PRO 18 13.853 -10.596 -0.904 132 H HIS 19 H HIS 19 9.574 -11.230 2.879 133 HA HIS 19 HA HIS 19 7.788 -12.612 1.022 134 HB2 HIS 19 1HB HIS 19 8.116 -12.609 3.970 135 HB3 HIS 19 2HB HIS 19 6.461 -12.625 3.393 136 HD1 HIS 19 1HD HIS 19 5.642 -14.978 3.463 137 HD2 HIS 19 2HD HIS 19 9.602 -14.735 2.101 138 HE1 HIS 19 1HE HIS 19 6.342 -17.359 2.872 139 H ALA 20 H ALA 20 5.537 -11.818 0.863 140 HA ALA 20 HA ALA 20 5.481 -9.043 0.453 141 HB1 ALA 20 1HB ALA 20 3.649 -11.370 0.234 142 HB2 ALA 20 2HB ALA 20 2.854 -9.795 0.475 143 HB3 ALA 20 3HB ALA 20 3.949 -10.037 -0.907 144 HA PRO 21 HA PRO 21 4.117 -7.539 4.271 145 HB2 PRO 21 1HB PRO 21 2.396 -5.522 3.610 146 HB3 PRO 21 2HB PRO 21 4.139 -5.353 3.546 147 HG2 PRO 21 1HG PRO 21 2.225 -5.677 1.316 148 HG3 PRO 21 2HG PRO 21 3.876 -5.092 1.269 149 HD2 PRO 21 1HD PRO 21 2.953 -7.688 0.472 150 HD3 PRO 21 2HD PRO 21 4.616 -7.140 0.535 151 H GLU 22 H GLU 22 2.742 -7.854 5.983 152 HA GLU 22 HA GLU 22 0.354 -9.273 5.134 153 HB2 GLU 22 1HB GLU 22 2.244 -9.520 7.398 154 HB3 GLU 22 2HB GLU 22 0.564 -9.620 7.888 155 HG2 GLU 22 1HG GLU 22 0.400 -11.255 5.757 156 HG3 GLU 22 2HG GLU 22 2.118 -11.436 6.046 157 H HIS 23 H HIS 23 -1.440 -9.038 7.102 158 HA HIS 23 HA HIS 23 -3.110 -7.651 7.598 159 HB2 HIS 23 1HB HIS 23 -0.925 -7.391 9.347 160 HB3 HIS 23 2HB HIS 23 -1.512 -5.757 9.112 161 HD1 HIS 23 1HD HIS 23 -4.150 -5.372 9.663 162 HD2 HIS 23 2HD HIS 23 -2.444 -8.944 11.053 163 HE1 HIS 23 1HE HIS 23 -5.740 -6.281 11.440 164 HA PRO 24 HA PRO 24 -1.885 -4.376 4.608 165 HB2 PRO 24 1HB PRO 24 -3.097 -5.311 2.344 166 HB3 PRO 24 2HB PRO 24 -1.397 -5.555 2.691 167 HG2 PRO 24 1HG PRO 24 -3.621 -7.495 2.866 168 HG3 PRO 24 2HG PRO 24 -1.898 -7.804 2.790 169 HD2 PRO 24 1HD PRO 24 -3.566 -7.943 5.120 170 HD3 PRO 24 2HD PRO 24 -1.826 -8.138 5.064 171 H VAL 25 H VAL 25 -3.289 -3.391 6.280 172 HA VAL 25 HA VAL 25 -6.052 -3.286 5.344 173 HB VAL 25 HB VAL 25 -4.936 -2.077 7.864 174 HG11 VAL 25 1HG1 VAL 25 -7.420 -1.914 6.746 175 HG12 VAL 25 2HG1 VAL 25 -7.613 -3.332 7.804 176 HG13 VAL 25 3HG1 VAL 25 -7.085 -1.776 8.489 177 HG21 VAL 25 1HG2 VAL 25 -5.677 -4.249 8.975 178 HG22 VAL 25 2HG2 VAL 25 -5.674 -4.968 7.347 179 HG23 VAL 25 3HG2 VAL 25 -4.168 -4.314 8.034 180 H ALA 26 H ALA 26 -6.846 -1.543 4.266 181 HA ALA 26 HA ALA 26 -5.155 0.865 4.275 182 HB1 ALA 26 1HB ALA 26 -5.246 -0.561 2.134 183 HB2 ALA 26 2HB ALA 26 -6.942 -0.038 1.995 184 HB3 ALA 26 3HB ALA 26 -5.633 1.168 1.967 185 H THR 27 H THR 27 -6.122 2.648 5.108 186 HA THR 27 HA THR 27 -9.047 2.800 4.957 187 HB THR 27 HB THR 27 -8.561 3.846 7.438 188 HG1 THR 27 1HG THR 27 -6.943 1.495 7.476 189 HG21 THR 27 1HG2 THR 27 -9.259 1.708 8.405 190 HG22 THR 27 2HG2 THR 27 -10.138 1.912 6.870 191 HG23 THR 27 3HG2 THR 27 -8.728 0.828 6.952 192 H LEU 28 H LEU 28 -9.916 4.908 4.879 193 HA LEU 28 HA LEU 28 -8.439 6.714 3.426 194 HB2 LEU 28 1HB LEU 28 -11.028 6.611 4.765 195 HB3 LEU 28 2HB LEU 28 -10.355 8.228 4.734 196 HG LEU 28 HG LEU 28 -10.735 6.472 2.293 197 HD11 LEU 28 1HD1 LEU 28 -12.365 8.922 2.659 198 HD12 LEU 28 2HD1 LEU 28 -12.782 7.354 1.927 199 HD13 LEU 28 3HD1 LEU 28 -12.771 7.534 3.698 200 HD21 LEU 28 1HD2 LEU 28 -8.938 8.442 2.487 201 HD22 LEU 28 2HD2 LEU 28 -9.852 8.111 0.997 202 HD23 LEU 28 3HD2 LEU 28 -10.373 9.417 2.088 203 H SER 29 H SER 29 -8.397 9.213 4.416 204 HA SER 29 HA SER 29 -6.477 8.920 6.569 205 HB2 SER 29 1HB SER 29 -6.612 10.523 4.179 206 HB3 SER 29 2HB SER 29 -6.595 11.614 5.550 207 HG SER 29 HG SER 29 -4.496 10.411 4.480 208 H THR 30 H THR 30 -9.734 9.826 5.940 209 HA THR 30 HA THR 30 -11.221 11.152 7.001 210 HB THR 30 HB THR 30 -11.118 10.495 9.576 211 HG1 THR 30 1HG THR 30 -9.284 8.622 8.275 212 HG21 THR 30 1HG2 THR 30 -11.830 8.963 7.182 213 HG22 THR 30 2HG2 THR 30 -11.196 7.884 8.447 214 HG23 THR 30 3HG2 THR 30 -12.592 8.933 8.790 215 H VAL 31 H VAL 31 -9.339 12.868 6.187 216 HA VAL 31 HA VAL 31 -9.612 14.988 7.920 217 HB VAL 31 HB VAL 31 -7.716 13.215 8.910 218 HG11 VAL 31 1HG1 VAL 31 -6.093 13.822 7.218 219 HG12 VAL 31 2HG1 VAL 31 -6.331 15.554 7.556 220 HG13 VAL 31 3HG1 VAL 31 -5.587 14.501 8.784 221 HG21 VAL 31 1HG2 VAL 31 -8.269 16.145 9.431 222 HG22 VAL 31 2HG2 VAL 31 -8.850 14.728 10.337 223 HG23 VAL 31 3HG2 VAL 31 -7.134 15.192 10.417 224 H GLU 32 H GLU 32 -7.227 13.400 5.696 225 HA GLU 32 HA GLU 32 -6.863 15.933 4.381 226 HB2 GLU 32 1HB GLU 32 -5.341 13.488 4.688 227 HB3 GLU 32 2HB GLU 32 -5.528 13.823 2.978 228 HG2 GLU 32 1HG GLU 32 -4.238 15.730 3.066 229 HG3 GLU 32 2HG GLU 32 -4.868 16.214 4.628 230 H ARG 33 H ARG 33 -6.852 15.852 1.842 231 HA ARG 33 HA ARG 33 -9.432 15.342 1.055 232 HB2 ARG 33 1HB ARG 33 -7.037 15.459 -0.836 233 HB3 ARG 33 2HB ARG 33 -8.683 15.955 -1.178 234 HG2 ARG 33 1HG ARG 33 -7.847 17.410 1.152 235 HG3 ARG 33 2HG ARG 33 -6.532 17.506 -0.003 236 HD2 ARG 33 1HD ARG 33 -8.556 18.009 -1.719 237 HD3 ARG 33 2HD ARG 33 -9.358 18.532 -0.251 238 HE ARG 33 HE ARG 33 -6.667 19.626 -0.452 239 HH11 ARG 33 2HH2 ARG 33 -9.984 20.053 -1.548 240 HH12 ARG 33 1HH2 ARG 33 -9.800 21.748 -1.852 241 HH21 ARG 33 2HH1 ARG 33 -6.425 21.863 -0.852 242 HH22 ARG 33 1HH1 ARG 33 -7.762 22.785 -1.453 243 H ARG 34 H ARG 34 -8.290 14.114 -1.663 244 HA ARG 34 HA ARG 34 -9.185 11.540 -1.128 245 HB2 ARG 34 1HB ARG 34 -7.532 12.577 -3.487 246 HB3 ARG 34 2HB ARG 34 -8.401 11.055 -3.470 247 HG2 ARG 34 1HG ARG 34 -10.171 12.214 -4.309 248 HG3 ARG 34 2HG ARG 34 -10.376 12.863 -2.694 249 HD2 ARG 34 1HD ARG 34 -9.115 14.855 -3.220 250 HD3 ARG 34 2HD ARG 34 -8.479 14.159 -4.696 251 HE ARG 34 HE ARG 34 -11.330 14.160 -4.877 252 HH11 ARG 34 2HH2 ARG 34 -8.646 16.434 -4.822 253 HH12 ARG 34 1HH2 ARG 34 -9.478 17.635 -5.753 254 HH21 ARG 34 2HH1 ARG 34 -12.428 15.743 -6.106 255 HH22 ARG 34 1HH1 ARG 34 -11.643 17.239 -6.488 256 H ALA 35 H ALA 35 -7.459 11.562 0.852 257 HA ALA 35 HA ALA 35 -5.046 10.214 -0.155 258 HB1 ALA 35 1HB ALA 35 -5.331 12.513 1.514 259 HB2 ALA 35 2HB ALA 35 -4.736 11.184 2.537 260 HB3 ALA 35 3HB ALA 35 -3.837 11.652 1.074 261 H ILE 36 H ILE 36 -4.652 8.157 0.593 262 HA ILE 36 HA ILE 36 -6.514 7.189 2.651 263 HB ILE 36 HB ILE 36 -5.363 5.699 0.290 264 HG12 ILE 36 1HG1 ILE 36 -8.216 6.579 0.819 265 HG13 ILE 36 2HG1 ILE 36 -7.113 7.374 -0.287 266 HG21 ILE 36 1HG2 ILE 36 -6.800 4.828 2.741 267 HG22 ILE 36 2HG2 ILE 36 -7.299 4.088 1.201 268 HG23 ILE 36 3HG2 ILE 36 -5.605 3.973 1.737 269 HD11 ILE 36 1HD1 ILE 36 -8.254 4.563 -0.482 270 HD12 ILE 36 2HD1 ILE 36 -8.382 5.892 -1.658 271 HD13 ILE 36 3HD1 ILE 36 -6.827 5.059 -1.423 272 H ASN 37 H ASN 37 -5.657 6.123 4.411 273 HA ASN 37 HA ASN 37 -2.793 6.291 4.600 274 HB2 ASN 37 1HB ASN 37 -5.015 6.487 6.427 275 HB3 ASN 37 2HB ASN 37 -4.053 5.119 6.948 276 HD21 ASN 37 1HD2 ASN 37 -4.511 7.919 7.966 277 HD22 ASN 37 2HD2 ASN 37 -2.935 8.577 8.255 278 H LEU 38 H LEU 38 -1.651 4.480 3.888 279 HA LEU 38 HA LEU 38 -2.980 1.896 3.977 280 HB2 LEU 38 1HB LEU 38 -1.471 3.103 2.077 281 HB3 LEU 38 2HB LEU 38 -0.244 2.156 2.894 282 HG LEU 38 HG LEU 38 -1.469 1.147 0.856 283 HD11 LEU 38 1HD1 LEU 38 0.095 -0.077 2.304 284 HD12 LEU 38 2HD1 LEU 38 -1.244 -0.472 3.408 285 HD13 LEU 38 3HD1 LEU 38 -1.246 -1.106 1.745 286 HD21 LEU 38 1HD2 LEU 38 -3.524 0.324 2.902 287 HD22 LEU 38 2HD2 LEU 38 -3.747 1.756 1.869 288 HD23 LEU 38 3HD2 LEU 38 -3.564 0.146 1.132 289 H THR 39 H THR 39 -2.386 0.211 5.310 290 HA THR 39 HA THR 39 0.015 0.561 6.938 291 HB THR 39 HB THR 39 -1.304 0.134 9.002 292 HG1 THR 39 1HG THR 39 -3.510 0.350 7.077 293 HG21 THR 39 1HG2 THR 39 -2.383 2.241 9.224 294 HG22 THR 39 2HG2 THR 39 -1.190 2.559 7.942 295 HG23 THR 39 3HG2 THR 39 -2.893 2.259 7.519 296 H TRP 40 H TRP 40 1.207 -1.235 6.925 297 HA TRP 40 HA TRP 40 -0.219 -3.778 6.643 298 HB2 TRP 40 1HB TRP 40 1.401 -4.570 5.027 299 HB3 TRP 40 2HB TRP 40 0.519 -3.184 4.416 300 HD1 TRP 40 HD TRP 40 4.061 -4.275 5.330 301 HE1 TRP 40 1HE TRP 40 5.855 -2.473 4.621 302 HE3 TRP 40 3HE TRP 40 0.710 -0.638 4.148 303 HZ2 TRP 40 2HZ TRP 40 5.674 0.211 3.667 304 HZ3 TRP 40 3HZ TRP 40 1.602 1.544 3.335 305 HH2 TRP 40 HH TRP 40 3.991 1.997 3.088 306 H THR 41 H THR 41 1.627 -5.604 7.028 307 HA THR 41 HA THR 41 3.029 -4.731 9.460 308 HB THR 41 HB THR 41 1.829 -7.363 8.491 309 HG1 THR 41 1HG THR 41 0.517 -5.805 9.678 310 HG21 THR 41 1HG2 THR 41 3.964 -8.001 9.541 311 HG22 THR 41 2HG2 THR 41 3.693 -6.842 10.865 312 HG23 THR 41 3HG2 THR 41 2.654 -8.279 10.713 313 H LYS 42 H LYS 42 5.175 -5.560 9.902 314 HA LYS 42 HA LYS 42 6.754 -5.483 7.504 315 HB2 LYS 42 1HB LYS 42 7.156 -4.445 9.926 316 HB3 LYS 42 2HB LYS 42 7.934 -5.990 10.205 317 HG2 LYS 42 1HG LYS 42 8.622 -4.639 7.621 318 HG3 LYS 42 2HG LYS 42 9.196 -3.840 9.071 319 HD2 LYS 42 1HD LYS 42 10.034 -6.240 9.780 320 HD3 LYS 42 2HD LYS 42 9.842 -6.636 8.083 321 HE2 LYS 42 1HE LYS 42 12.120 -5.922 8.312 322 HE3 LYS 42 2HE LYS 42 11.291 -4.582 7.546 323 HZ1 LYS 42 1HZ LYS 42 11.927 -3.344 9.231 324 HZ2 LYS 42 2HZ LYS 42 11.047 -4.243 10.272 325 HZ3 LYS 42 3HZ LYS 42 12.612 -4.615 9.994 326 HA PRO 43 HA PRO 43 6.687 -9.855 7.258 327 HB2 PRO 43 1HB PRO 43 7.791 -10.054 4.766 328 HB3 PRO 43 2HB PRO 43 6.074 -9.834 5.039 329 HG2 PRO 43 1HG PRO 43 8.071 -7.860 4.114 330 HG3 PRO 43 2HG PRO 43 6.324 -7.795 3.989 331 HD2 PRO 43 1HD PRO 43 7.966 -6.361 5.854 332 HD3 PRO 43 2HD PRO 43 6.215 -6.387 5.803 333 H PHE 44 H PHE 44 8.335 -11.653 6.605 334 HA PHE 44 HA PHE 44 10.678 -10.947 8.142 335 HB2 PHE 44 1HB PHE 44 9.509 -13.079 8.573 336 HB3 PHE 44 2HB PHE 44 9.488 -13.473 6.865 337 HD1 PHE 44 2HD PHE 44 11.829 -13.767 5.738 338 HD2 PHE 44 1HD PHE 44 11.171 -13.968 9.925 339 HE1 PHE 44 2HE PHE 44 13.962 -15.061 6.010 340 HE2 PHE 44 1HE PHE 44 13.304 -15.262 10.198 341 HZ PHE 44 HZ PHE 44 14.674 -15.793 8.237 342 H ASP 45 H ASP 45 12.680 -10.526 7.308 343 HA ASP 45 HA ASP 45 12.899 -10.358 4.492 344 HB2 ASP 45 1HB ASP 45 14.981 -9.286 4.906 345 HB3 ASP 45 2HB ASP 45 13.980 -8.826 6.269 346 H GLY 46 H GLY 46 13.988 -11.824 3.107 347 HA2 GLY 46 1HA GLY 46 14.320 -14.463 3.761 348 HA3 GLY 46 2HA GLY 46 15.125 -13.646 2.435 349 H ASN 47 H ASN 47 16.786 -11.804 3.829 350 HA ASN 47 HA ASN 47 18.166 -13.033 5.913 351 HB2 ASN 47 1HB ASN 47 18.825 -14.125 3.395 352 HB3 ASN 47 2HB ASN 47 20.093 -12.947 3.667 353 HD21 ASN 47 1HD2 ASN 47 21.552 -14.697 3.809 354 HD22 ASN 47 2HD2 ASN 47 21.728 -15.624 5.262 355 H SER 48 H SER 48 18.211 -10.921 2.990 356 HA SER 48 HA SER 48 20.022 -9.106 4.315 357 HB2 SER 48 1HB SER 48 19.637 -9.849 1.642 358 HB3 SER 48 2HB SER 48 18.920 -8.252 1.716 359 HG SER 48 HG SER 48 20.974 -7.643 1.441 360 HA PRO 49 HA PRO 49 16.863 -6.313 5.389 361 HB2 PRO 49 1HB PRO 49 18.101 -3.881 5.236 362 HB3 PRO 49 2HB PRO 49 18.308 -4.978 6.587 363 HG2 PRO 49 1HG PRO 49 20.183 -4.380 4.381 364 HG3 PRO 49 2HG PRO 49 20.515 -5.121 5.934 365 HD2 PRO 49 1HD PRO 49 20.305 -6.457 3.404 366 HD3 PRO 49 2HD PRO 49 20.522 -7.209 4.972 367 H LEU 50 H LEU 50 15.141 -5.019 4.717 368 HA LEU 50 HA LEU 50 14.672 -5.163 1.981 369 HB2 LEU 50 1HB LEU 50 13.397 -3.345 4.030 370 HB3 LEU 50 2HB LEU 50 12.745 -3.742 2.452 371 HG LEU 50 HG LEU 50 13.191 -5.705 4.719 372 HD11 LEU 50 1HD1 LEU 50 11.044 -5.450 5.366 373 HD12 LEU 50 2HD1 LEU 50 11.251 -3.834 4.649 374 HD13 LEU 50 3HD1 LEU 50 10.464 -5.128 3.714 375 HD21 LEU 50 1HD2 LEU 50 12.739 -6.098 1.877 376 HD22 LEU 50 2HD2 LEU 50 13.148 -7.276 3.147 377 HD23 LEU 50 3HD2 LEU 50 11.449 -6.831 2.860 378 H ILE 51 H ILE 51 14.727 -3.609 0.298 379 HA ILE 51 HA ILE 51 16.599 -1.425 0.861 380 HB ILE 51 HB ILE 51 16.039 -3.121 -1.542 381 HG12 ILE 51 1HG1 ILE 51 18.579 -2.239 -0.138 382 HG13 ILE 51 2HG1 ILE 51 17.804 -3.804 0.013 383 HG21 ILE 51 1HG2 ILE 51 17.089 -0.296 -1.538 384 HG22 ILE 51 2HG2 ILE 51 17.568 -1.471 -2.786 385 HG23 ILE 51 3HG2 ILE 51 15.854 -1.039 -2.583 386 HD11 ILE 51 1HD1 ILE 51 19.496 -4.169 -1.608 387 HD12 ILE 51 2HD1 ILE 51 18.024 -3.955 -2.585 388 HD13 ILE 51 3HD1 ILE 51 19.181 -2.614 -2.415 389 H ARG 52 H ARG 52 13.459 -2.303 -0.665 390 HA ARG 52 HA ARG 52 12.431 0.215 -0.009 391 HB2 ARG 52 1HB ARG 52 12.220 1.271 -2.125 392 HB3 ARG 52 2HB ARG 52 13.851 0.631 -2.171 393 HG2 ARG 52 1HG ARG 52 12.827 -1.481 -3.284 394 HG3 ARG 52 2HG ARG 52 11.361 -0.540 -3.480 395 HD2 ARG 52 1HD ARG 52 12.604 -0.287 -5.533 396 HD3 ARG 52 2HD ARG 52 12.758 1.236 -4.680 397 HE ARG 52 HE ARG 52 15.051 0.823 -4.375 398 HH11 ARG 52 2HH2 ARG 52 13.447 -2.136 -5.400 399 HH12 ARG 52 1HH2 ARG 52 14.926 -3.004 -5.647 400 HH21 ARG 52 2HH1 ARG 52 17.002 -0.321 -4.700 401 HH22 ARG 52 1HH1 ARG 52 16.962 -1.964 -5.246 402 H TYR 53 H TYR 53 10.113 0.437 -1.225 403 HA TYR 53 HA TYR 53 9.029 -2.277 -1.545 404 HB2 TYR 53 1HB TYR 53 8.431 0.025 0.290 405 HB3 TYR 53 2HB TYR 53 7.004 -0.625 -0.492 406 HD1 TYR 53 1HD TYR 53 9.808 -1.423 1.791 407 HD2 TYR 53 2HD TYR 53 6.102 -2.770 0.129 408 HE1 TYR 53 1HE TYR 53 9.704 -3.289 3.515 409 HE2 TYR 53 2HE TYR 53 6.011 -4.631 1.859 410 HH TYR 53 HH TYR 53 7.738 -5.911 3.216 411 H ILE 54 H ILE 54 7.596 -2.563 -3.233 412 HA ILE 54 HA ILE 54 7.108 -0.165 -4.848 413 HB ILE 54 HB ILE 54 7.138 -3.080 -5.641 414 HG12 ILE 54 1HG1 ILE 54 9.160 -0.956 -6.380 415 HG13 ILE 54 2HG1 ILE 54 9.356 -1.988 -4.978 416 HG21 ILE 54 1HG2 ILE 54 7.046 -0.676 -7.470 417 HG22 ILE 54 2HG2 ILE 54 6.818 -2.394 -7.877 418 HG23 ILE 54 3HG2 ILE 54 5.586 -1.534 -6.922 419 HD11 ILE 54 1HD1 ILE 54 9.170 -4.010 -6.442 420 HD12 ILE 54 2HD1 ILE 54 9.020 -2.943 -7.859 421 HD13 ILE 54 3HD1 ILE 54 10.528 -2.960 -6.914 422 H LEU 55 H LEU 55 5.196 0.711 -4.168 423 HA LEU 55 HA LEU 55 3.026 -1.089 -3.490 424 HB2 LEU 55 1HB LEU 55 3.197 0.599 -1.938 425 HB3 LEU 55 2HB LEU 55 3.613 1.816 -3.128 426 HG LEU 55 HG LEU 55 1.165 1.466 -3.982 427 HD11 LEU 55 1HD1 LEU 55 0.819 -0.539 -2.494 428 HD12 LEU 55 2HD1 LEU 55 0.788 0.584 -1.113 429 HD13 LEU 55 3HD1 LEU 55 -0.438 0.718 -2.398 430 HD21 LEU 55 1HD2 LEU 55 0.367 3.195 -2.419 431 HD22 LEU 55 2HD2 LEU 55 1.795 2.912 -1.393 432 HD23 LEU 55 3HD2 LEU 55 1.996 3.546 -3.045 433 H GLU 56 H GLU 56 1.362 -1.604 -4.828 434 HA GLU 56 HA GLU 56 1.203 -0.031 -7.281 435 HB2 GLU 56 1HB GLU 56 1.249 -2.993 -6.830 436 HB3 GLU 56 2HB GLU 56 0.151 -2.412 -8.066 437 HG2 GLU 56 1HG GLU 56 2.000 -1.231 -9.210 438 HG3 GLU 56 2HG GLU 56 3.114 -1.680 -7.934 439 H MET 57 H MET 57 -0.741 0.970 -7.613 440 HA MET 57 HA MET 57 -2.936 0.051 -5.933 441 HB2 MET 57 1HB MET 57 -2.341 2.384 -5.525 442 HB3 MET 57 2HB MET 57 -2.243 2.730 -7.240 443 HG2 MET 57 1HG MET 57 -4.756 2.149 -7.376 444 HG3 MET 57 2HG MET 57 -4.763 2.137 -5.624 445 HE1 MET 57 1HE MET 57 -3.661 3.804 -8.683 446 HE2 MET 57 2HE MET 57 -5.037 4.932 -8.700 447 HE3 MET 57 3HE MET 57 -3.408 5.522 -8.292 448 H SER 58 H SER 58 -5.078 -0.180 -6.836 449 HA SER 58 HA SER 58 -5.043 -0.314 -9.750 450 HB2 SER 58 1HB SER 58 -5.211 -2.570 -9.275 451 HB3 SER 58 2HB SER 58 -5.927 -2.301 -7.698 452 HG SER 58 HG SER 58 -7.387 -1.717 -10.114 453 H GLU 59 H GLU 59 -6.317 1.340 -10.506 454 HA GLU 59 HA GLU 59 -8.322 2.444 -8.829 455 HB2 GLU 59 1HB GLU 59 -6.822 3.684 -10.527 456 HB3 GLU 59 2HB GLU 59 -7.873 3.048 -11.777 457 HG2 GLU 59 1HG GLU 59 -9.849 4.097 -10.623 458 HG3 GLU 59 2HG GLU 59 -8.770 4.767 -9.415 459 H ASN 60 H ASN 60 -9.952 0.891 -8.463 460 HA ASN 60 HA ASN 60 -11.748 -0.258 -8.850 461 HB2 ASN 60 1HB ASN 60 -11.763 1.632 -11.209 462 HB3 ASN 60 2HB ASN 60 -12.904 0.303 -11.240 463 HD21 ASN 60 1HD2 ASN 60 -12.298 3.408 -10.185 464 HD22 ASN 60 2HD2 ASN 60 -13.564 3.600 -9.018 465 H ASN 61 H ASN 61 -11.328 -0.030 -12.389 466 HA ASN 61 HA ASN 61 -10.589 -2.844 -12.374 467 HB2 ASN 61 1HB ASN 61 -12.146 -1.081 -14.291 468 HB3 ASN 61 2HB ASN 61 -11.340 -2.501 -14.927 469 HD21 ASN 61 1HD2 ASN 61 -14.180 -1.861 -14.675 470 HD22 ASN 61 2HD2 ASN 61 -14.917 -3.135 -13.762 471 H ALA 62 H ALA 62 -8.664 -0.644 -11.951 472 HA ALA 62 HA ALA 62 -7.315 -0.417 -14.528 473 HB1 ALA 62 1HB ALA 62 -5.819 0.976 -12.673 474 HB2 ALA 62 2HB ALA 62 -7.116 1.673 -13.674 475 HB3 ALA 62 3HB ALA 62 -7.465 1.128 -12.015 476 HA PRO 63 HA PRO 63 -4.433 -3.449 -13.421 477 HB2 PRO 63 1HB PRO 63 -2.349 -2.809 -15.069 478 HB3 PRO 63 2HB PRO 63 -3.756 -3.703 -15.607 479 HG2 PRO 63 1HG PRO 63 -3.050 -0.878 -16.114 480 HG3 PRO 63 2HG PRO 63 -4.195 -1.894 -16.968 481 HD2 PRO 63 1HD PRO 63 -4.810 0.156 -15.058 482 HD3 PRO 63 2HD PRO 63 -5.945 -0.938 -15.824 483 H TRP 64 H TRP 64 -2.759 -3.984 -12.037 484 HA TRP 64 HA TRP 64 -2.164 -2.222 -10.086 485 HB2 TRP 64 1HB TRP 64 -0.320 -4.367 -11.155 486 HB3 TRP 64 2HB TRP 64 -0.228 -3.622 -9.571 487 HD1 TRP 64 HD TRP 64 -1.606 -6.636 -11.142 488 HE1 TRP 64 1HE TRP 64 -3.416 -7.880 -9.679 489 HE3 TRP 64 3HE TRP 64 -2.390 -2.795 -7.903 490 HZ2 TRP 64 2HZ TRP 64 -4.939 -7.134 -7.383 491 HZ3 TRP 64 3HZ TRP 64 -4.055 -3.135 -6.079 492 HH2 TRP 64 HH TRP 64 -5.309 -5.214 -5.791 493 H THR 65 H THR 65 -1.444 -0.142 -10.343 494 HA THR 65 HA THR 65 0.712 0.288 -12.303 495 HB THR 65 HB THR 65 -1.724 1.432 -12.348 496 HG1 THR 65 1HG THR 65 0.817 2.891 -12.509 497 HG21 THR 65 1HG2 THR 65 -0.047 3.308 -10.600 498 HG22 THR 65 2HG2 THR 65 -1.653 3.655 -11.285 499 HG23 THR 65 3HG2 THR 65 -1.474 2.416 -10.020 500 H VAL 66 H VAL 66 2.692 0.447 -11.478 501 HA VAL 66 HA VAL 66 3.204 0.608 -8.761 502 HB VAL 66 HB VAL 66 4.910 1.322 -11.154 503 HG11 VAL 66 1HG1 VAL 66 6.034 2.319 -9.352 504 HG12 VAL 66 2HG1 VAL 66 5.591 1.011 -8.228 505 HG13 VAL 66 3HG1 VAL 66 6.799 0.719 -9.503 506 HG21 VAL 66 1HG2 VAL 66 5.861 -1.049 -10.317 507 HG22 VAL 66 2HG2 VAL 66 4.166 -1.226 -9.802 508 HG23 VAL 66 3HG2 VAL 66 4.547 -0.899 -11.509 509 H LEU 67 H LEU 67 2.315 2.245 -7.551 510 HA LEU 67 HA LEU 67 2.313 4.928 -8.584 511 HB2 LEU 67 1HB LEU 67 0.508 3.770 -7.181 512 HB3 LEU 67 2HB LEU 67 1.562 4.042 -5.807 513 HG LEU 67 HG LEU 67 1.486 6.477 -6.227 514 HD11 LEU 67 1HD1 LEU 67 0.828 7.322 -8.166 515 HD12 LEU 67 2HD1 LEU 67 0.467 5.682 -8.756 516 HD13 LEU 67 3HD1 LEU 67 -0.797 6.632 -7.939 517 HD21 LEU 67 1HD2 LEU 67 -0.460 4.865 -5.084 518 HD22 LEU 67 2HD2 LEU 67 -0.280 6.624 -4.878 519 HD23 LEU 67 3HD2 LEU 67 -1.384 5.981 -6.117 520 H LEU 68 H LEU 68 3.772 3.235 -5.715 521 HA LEU 68 HA LEU 68 5.837 5.325 -5.760 522 HB2 LEU 68 1HB LEU 68 4.109 4.468 -3.683 523 HB3 LEU 68 2HB LEU 68 5.721 3.920 -3.267 524 HG LEU 68 HG LEU 68 4.936 6.776 -3.916 525 HD11 LEU 68 1HD1 LEU 68 4.019 6.098 -1.788 526 HD12 LEU 68 2HD1 LEU 68 5.592 5.440 -1.277 527 HD13 LEU 68 3HD1 LEU 68 5.397 7.193 -1.520 528 HD21 LEU 68 1HD2 LEU 68 7.580 5.922 -2.759 529 HD22 LEU 68 2HD2 LEU 68 7.313 5.961 -4.518 530 HD23 LEU 68 3HD2 LEU 68 7.133 7.449 -3.558 531 H ALA 69 H ALA 69 7.656 4.580 -6.707 532 HA ALA 69 HA ALA 69 8.154 1.760 -6.829 533 HB1 ALA 69 1HB ALA 69 8.698 3.840 -8.471 534 HB2 ALA 69 2HB ALA 69 10.243 3.751 -7.591 535 HB3 ALA 69 3HB ALA 69 9.640 2.330 -8.476 536 H SER 70 H SER 70 10.189 4.540 -5.656 537 HA SER 70 HA SER 70 11.540 2.694 -3.926 538 HB2 SER 70 1HB SER 70 12.216 5.553 -3.641 539 HB3 SER 70 2HB SER 70 13.260 4.190 -3.987 540 HG SER 70 HG SER 70 13.343 5.077 -5.945 541 H VAL 71 H VAL 71 10.508 2.186 -2.019 542 HA VAL 71 HA VAL 71 9.289 4.431 -0.563 543 HB VAL 71 HB VAL 71 8.386 1.599 -0.996 544 HG11 VAL 71 1HG1 VAL 71 8.439 1.935 1.443 545 HG12 VAL 71 2HG1 VAL 71 7.469 3.416 1.260 546 HG13 VAL 71 3HG1 VAL 71 6.771 1.835 0.830 547 HG21 VAL 71 1HG2 VAL 71 7.219 2.870 -2.492 548 HG22 VAL 71 2HG2 VAL 71 6.157 3.081 -1.079 549 HG23 VAL 71 3HG2 VAL 71 7.335 4.346 -1.504 550 H ASP 72 H ASP 72 9.475 4.330 1.789 551 HA ASP 72 HA ASP 72 12.035 3.522 2.543 552 HB2 ASP 72 1HB ASP 72 9.780 4.975 3.674 553 HB3 ASP 72 2HB ASP 72 10.404 3.861 4.875 554 HA PRO 73 HA PRO 73 10.900 -0.596 3.656 555 HB2 PRO 73 1HB PRO 73 13.321 -1.435 4.606 556 HB3 PRO 73 2HB PRO 73 12.904 -1.444 2.904 557 HG2 PRO 73 1HG PRO 73 14.674 0.416 4.369 558 HG3 PRO 73 2HG PRO 73 14.576 0.123 2.644 559 HD2 PRO 73 1HD PRO 73 13.511 2.375 4.066 560 HD3 PRO 73 2HD PRO 73 13.313 2.024 2.361 561 H LYS 74 H LYS 74 12.110 1.761 5.814 562 HA LYS 74 HA LYS 74 11.474 0.110 8.108 563 HB2 LYS 74 1HB LYS 74 12.466 2.973 7.984 564 HB3 LYS 74 2HB LYS 74 12.383 1.956 9.409 565 HG2 LYS 74 1HG LYS 74 13.822 0.330 7.704 566 HG3 LYS 74 2HG LYS 74 14.343 1.912 7.160 567 HD2 LYS 74 1HD LYS 74 14.456 0.881 10.034 568 HD3 LYS 74 2HD LYS 74 15.826 1.076 8.958 569 HE2 LYS 74 1HE LYS 74 15.798 3.417 9.105 570 HE3 LYS 74 2HE LYS 74 14.079 3.486 9.442 571 HZ1 LYS 74 1HZ LYS 74 14.695 2.356 11.600 572 HZ2 LYS 74 2HZ LYS 74 16.241 2.770 11.275 573 HZ3 LYS 74 3HZ LYS 74 15.103 3.929 11.446 574 H ALA 75 H ALA 75 9.546 1.361 5.908 575 HA ALA 75 HA ALA 75 7.726 2.580 7.869 576 HB1 ALA 75 1HB ALA 75 6.909 3.977 6.174 577 HB2 ALA 75 2HB ALA 75 8.651 3.909 5.812 578 HB3 ALA 75 3HB ALA 75 7.507 2.918 4.875 579 H THR 76 H THR 76 5.667 1.709 8.103 580 HA THR 76 HA THR 76 5.147 -0.695 6.478 581 HB THR 76 HB THR 76 3.801 -1.294 8.671 582 HG1 THR 76 1HG THR 76 4.931 -0.130 10.487 583 HG21 THR 76 1HG2 THR 76 6.526 -1.305 9.663 584 HG22 THR 76 2HG2 THR 76 5.572 -2.681 9.058 585 HG23 THR 76 3HG2 THR 76 6.550 -1.712 7.930 586 H SER 77 H SER 77 4.368 2.465 6.625 587 HA SER 77 HA SER 77 1.728 1.865 5.632 588 HB2 SER 77 1HB SER 77 0.893 3.961 6.943 589 HB3 SER 77 2HB SER 77 1.035 2.441 7.803 590 HG SER 77 HG SER 77 3.238 4.292 7.749 591 H VAL 78 H VAL 78 0.945 3.501 4.125 592 HA VAL 78 HA VAL 78 2.728 5.730 3.601 593 HB VAL 78 HB VAL 78 3.562 3.748 2.315 594 HG11 VAL 78 1HG1 VAL 78 1.477 3.960 0.259 595 HG12 VAL 78 2HG1 VAL 78 2.267 2.522 0.950 596 HG13 VAL 78 3HG1 VAL 78 0.891 3.272 1.793 597 HG21 VAL 78 1HG2 VAL 78 3.526 6.346 1.634 598 HG22 VAL 78 2HG2 VAL 78 4.255 5.088 0.607 599 HG23 VAL 78 3HG2 VAL 78 2.614 5.683 0.256 600 H THR 79 H THR 79 1.699 7.399 2.298 601 HA THR 79 HA THR 79 -1.229 7.153 2.403 602 HB THR 79 HB THR 79 0.612 9.604 2.364 603 HG1 THR 79 1HG THR 79 -1.047 8.274 4.391 604 HG21 THR 79 1HG2 THR 79 -2.400 9.213 2.657 605 HG22 THR 79 2HG2 THR 79 -1.575 10.628 3.354 606 HG23 THR 79 3HG2 THR 79 -1.541 10.355 1.596 607 H VAL 80 H VAL 80 -2.478 7.296 0.614 608 HA VAL 80 HA VAL 80 -1.002 7.663 -1.897 609 HB VAL 80 HB VAL 80 -3.559 6.168 -1.281 610 HG11 VAL 80 1HG1 VAL 80 -2.124 5.981 -3.911 611 HG12 VAL 80 2HG1 VAL 80 -3.837 5.692 -3.522 612 HG13 VAL 80 3HG1 VAL 80 -3.212 7.357 -3.609 613 HG21 VAL 80 1HG2 VAL 80 -0.771 5.413 -1.174 614 HG22 VAL 80 2HG2 VAL 80 -2.218 4.468 -0.746 615 HG23 VAL 80 3HG2 VAL 80 -1.618 4.468 -2.422 616 H LYS 81 H LYS 81 -1.133 9.827 -2.373 617 HA LYS 81 HA LYS 81 -3.741 11.100 -2.023 618 HB2 LYS 81 1HB LYS 81 -1.193 12.528 -2.754 619 HB3 LYS 81 2HB LYS 81 -2.624 13.157 -1.963 620 HG2 LYS 81 1HG LYS 81 -2.134 11.925 0.084 621 HG3 LYS 81 2HG LYS 81 -0.858 11.014 -0.699 622 HD2 LYS 81 1HD LYS 81 0.432 13.137 -1.048 623 HD3 LYS 81 2HD LYS 81 -0.839 14.036 -0.244 624 HE2 LYS 81 1HE LYS 81 0.048 13.543 1.785 625 HE3 LYS 81 2HE LYS 81 -0.107 11.827 1.467 626 HZ1 LYS 81 1HZ LYS 81 2.117 12.001 1.613 627 HZ2 LYS 81 2HZ LYS 81 1.996 12.329 0.018 628 HZ3 LYS 81 3HZ LYS 81 2.183 13.546 1.091 629 H GLY 82 H GLY 82 -4.266 12.766 -3.846 630 HA2 GLY 82 1HA GLY 82 -4.572 13.248 -6.041 631 HA3 GLY 82 2HA GLY 82 -3.299 12.123 -6.471 632 H LEU 83 H LEU 83 -6.107 11.259 -4.414 633 HA LEU 83 HA LEU 83 -6.840 9.288 -6.428 634 HB2 LEU 83 1HB LEU 83 -7.018 9.526 -3.502 635 HB3 LEU 83 2HB LEU 83 -8.438 8.833 -4.260 636 HG LEU 83 HG LEU 83 -7.224 7.006 -5.147 637 HD11 LEU 83 1HD1 LEU 83 -5.294 8.089 -6.050 638 HD12 LEU 83 2HD1 LEU 83 -4.708 8.528 -4.428 639 HD13 LEU 83 3HD1 LEU 83 -4.737 6.821 -4.931 640 HD21 LEU 83 1HD2 LEU 83 -7.331 7.510 -2.409 641 HD22 LEU 83 2HD2 LEU 83 -7.081 5.937 -3.204 642 HD23 LEU 83 3HD2 LEU 83 -5.680 6.907 -2.689 643 H VAL 84 H VAL 84 -9.207 8.943 -6.871 644 HA VAL 84 HA VAL 84 -10.477 11.571 -7.113 645 HB VAL 84 HB VAL 84 -10.779 8.976 -8.630 646 HG11 VAL 84 1HG1 VAL 84 -12.961 10.252 -8.226 647 HG12 VAL 84 2HG1 VAL 84 -12.269 11.537 -9.246 648 HG13 VAL 84 3HG1 VAL 84 -12.527 9.909 -9.918 649 HG21 VAL 84 1HG2 VAL 84 -9.871 10.168 -10.500 650 HG22 VAL 84 2HG2 VAL 84 -9.937 11.716 -9.624 651 HG23 VAL 84 3HG2 VAL 84 -8.793 10.452 -9.112 652 HA PRO 85 HA PRO 85 -13.432 10.287 -4.218 653 HB2 PRO 85 1HB PRO 85 -15.305 12.242 -4.589 654 HB3 PRO 85 2HB PRO 85 -13.871 12.463 -3.607 655 HG2 PRO 85 1HG PRO 85 -14.443 13.506 -6.314 656 HG3 PRO 85 2HG PRO 85 -13.238 14.046 -5.161 657 HD2 PRO 85 1HD PRO 85 -12.784 12.443 -7.496 658 HD3 PRO 85 2HD PRO 85 -11.600 12.885 -6.282 659 H ALA 86 H ALA 86 -15.192 8.961 -3.957 660 HA ALA 86 HA ALA 86 -16.890 7.693 -4.604 661 HB1 ALA 86 1HB ALA 86 -17.220 10.124 -6.126 662 HB2 ALA 86 2HB ALA 86 -17.703 8.733 -7.126 663 HB3 ALA 86 3HB ALA 86 -18.463 8.994 -5.538 664 H ARG 87 H ARG 87 -14.347 6.766 -5.065 665 HA ARG 87 HA ARG 87 -14.848 5.117 -7.342 666 HB2 ARG 87 1HB ARG 87 -12.444 6.988 -7.177 667 HB3 ARG 87 2HB ARG 87 -12.402 5.534 -8.156 668 HG2 ARG 87 1HG ARG 87 -14.738 6.515 -9.076 669 HG3 ARG 87 2HG ARG 87 -14.051 8.031 -8.530 670 HD2 ARG 87 1HD ARG 87 -12.013 7.624 -9.910 671 HD3 ARG 87 2HD ARG 87 -12.660 6.081 -10.431 672 HE ARG 87 HE ARG 87 -14.549 8.208 -10.972 673 HH11 ARG 87 2HH2 ARG 87 -11.561 6.769 -12.147 674 HH12 ARG 87 1HH2 ARG 87 -11.804 7.287 -13.782 675 HH21 ARG 87 2HH1 ARG 87 -14.871 8.892 -13.128 676 HH22 ARG 87 1HH1 ARG 87 -13.700 8.503 -14.343 677 H SER 88 H SER 88 -13.697 3.084 -7.195 678 HA SER 88 HA SER 88 -12.810 2.537 -4.546 679 HB2 SER 88 1HB SER 88 -13.049 0.803 -7.042 680 HB3 SER 88 2HB SER 88 -12.537 0.182 -5.486 681 HG SER 88 HG SER 88 -14.797 -0.148 -5.738 682 H TYR 89 H TYR 89 -10.684 1.746 -3.946 683 HA TYR 89 HA TYR 89 -8.616 1.922 -5.990 684 HB2 TYR 89 1HB TYR 89 -9.029 3.609 -3.470 685 HB3 TYR 89 2HB TYR 89 -7.392 3.290 -4.009 686 HD1 TYR 89 1HD TYR 89 -7.170 3.680 -6.742 687 HD2 TYR 89 2HD TYR 89 -9.878 5.667 -4.091 688 HE1 TYR 89 1HE TYR 89 -7.328 5.636 -8.358 689 HE2 TYR 89 2HE TYR 89 -10.027 7.616 -5.716 690 HH TYR 89 HH TYR 89 -8.161 7.585 -8.744 691 H GLN 90 H GLN 90 -7.160 0.289 -5.753 692 HA GLN 90 HA GLN 90 -7.235 -1.085 -3.185 693 HB2 GLN 90 1HB GLN 90 -6.976 -2.011 -6.022 694 HB3 GLN 90 2HB GLN 90 -6.042 -2.894 -4.830 695 HG2 GLN 90 1HG GLN 90 -8.091 -3.294 -3.483 696 HG3 GLN 90 2HG GLN 90 -9.041 -2.349 -4.612 697 HE21 GLN 90 1HE2 GLN 90 -9.812 -4.855 -4.082 698 HE22 GLN 90 2HE2 GLN 90 -9.538 -5.920 -5.420 699 H PHE 91 H PHE 91 -5.127 -2.069 -2.442 700 HA PHE 91 HA PHE 91 -2.790 -0.730 -3.551 701 HB2 PHE 91 1HB PHE 91 -3.770 -0.754 -0.635 702 HB3 PHE 91 2HB PHE 91 -2.159 -0.237 -1.090 703 HD1 PHE 91 2HD PHE 91 -2.556 1.422 -3.418 704 HD2 PHE 91 1HD PHE 91 -4.962 1.092 0.062 705 HE1 PHE 91 2HE PHE 91 -3.409 3.753 -3.788 706 HE2 PHE 91 1HE PHE 91 -5.815 3.424 -0.308 707 HZ PHE 91 HZ PHE 91 -5.029 4.726 -2.228 708 H ARG 92 H ARG 92 -0.939 -1.994 -3.498 709 HA ARG 92 HA ARG 92 -0.794 -4.159 -1.668 710 HB2 ARG 92 1HB ARG 92 -0.417 -5.852 -3.602 711 HB3 ARG 92 2HB ARG 92 -2.075 -5.395 -3.263 712 HG2 ARG 92 1HG ARG 92 -2.182 -3.921 -5.151 713 HG3 ARG 92 2HG ARG 92 -0.439 -3.874 -5.326 714 HD2 ARG 92 1HD ARG 92 -1.025 -6.612 -5.552 715 HD3 ARG 92 2HD ARG 92 -2.371 -5.849 -6.374 716 HE ARG 92 HE ARG 92 -0.198 -4.481 -7.387 717 HH11 ARG 92 2HH2 ARG 92 -0.973 -7.902 -7.100 718 HH12 ARG 92 1HH2 ARG 92 -0.064 -8.356 -8.503 719 HH21 ARG 92 2HH1 ARG 92 1.001 -5.080 -9.237 720 HH22 ARG 92 1HH1 ARG 92 1.067 -6.741 -9.726 721 H LEU 93 H LEU 93 1.288 -3.734 -0.970 722 HA LEU 93 HA LEU 93 3.264 -3.056 -3.026 723 HB2 LEU 93 1HB LEU 93 4.579 -2.184 -1.095 724 HB3 LEU 93 2HB LEU 93 3.107 -1.312 -1.471 725 HG LEU 93 HG LEU 93 2.989 -3.436 0.635 726 HD11 LEU 93 1HD1 LEU 93 3.591 -0.949 1.903 727 HD12 LEU 93 2HD1 LEU 93 4.455 -2.503 2.009 728 HD13 LEU 93 3HD1 LEU 93 4.891 -1.326 0.746 729 HD21 LEU 93 1HD2 LEU 93 0.991 -2.550 1.010 730 HD22 LEU 93 2HD2 LEU 93 1.700 -0.936 1.255 731 HD23 LEU 93 3HD2 LEU 93 1.247 -1.469 -0.381 732 H CYS 94 H CYS 94 5.486 -3.975 -2.698 733 HA CYS 94 HA CYS 94 5.298 -6.615 -1.441 734 HB2 CYS 94 1HB CYS 94 6.797 -7.464 -3.254 735 HB3 CYS 94 2HB CYS 94 5.195 -7.011 -3.802 736 HG CYS 94 HG CYS 94 5.854 -4.571 -4.570 737 H ALA 95 H ALA 95 7.762 -7.479 -1.226 738 HA ALA 95 HA ALA 95 9.247 -5.240 -0.045 739 HB1 ALA 95 1HB ALA 95 8.723 -6.800 1.649 740 HB2 ALA 95 2HB ALA 95 9.026 -8.194 0.585 741 HB3 ALA 95 3HB ALA 95 10.389 -7.218 1.182 742 H VAL 96 H VAL 96 11.169 -4.644 -0.935 743 HA VAL 96 HA VAL 96 12.427 -6.575 -2.754 744 HB VAL 96 HB VAL 96 12.284 -3.593 -3.202 745 HG11 VAL 96 1HG1 VAL 96 12.791 -4.512 -5.611 746 HG12 VAL 96 2HG1 VAL 96 14.104 -4.339 -4.422 747 HG13 VAL 96 3HG1 VAL 96 13.385 -5.938 -4.726 748 HG21 VAL 96 1HG2 VAL 96 10.230 -5.589 -3.623 749 HG22 VAL 96 2HG2 VAL 96 10.172 -3.829 -3.883 750 HG23 VAL 96 3HG2 VAL 96 10.760 -4.900 -5.177 751 H ASN 97 H ASN 97 14.573 -6.925 -2.369 752 HA ASN 97 HA ASN 97 15.912 -4.936 -0.727 753 HB2 ASN 97 1HB ASN 97 17.125 -7.173 0.205 754 HB3 ASN 97 2HB ASN 97 15.685 -6.523 0.963 755 HD21 ASN 97 1HD2 ASN 97 15.901 -8.962 1.544 756 HD22 ASN 97 2HD2 ASN 97 14.935 -10.048 0.602 757 H ASP 98 H ASP 98 18.459 -6.054 -0.612 758 HA ASP 98 HA ASP 98 19.487 -5.565 -3.076 759 HB2 ASP 98 1HB ASP 98 20.766 -5.650 -0.922 760 HB3 ASP 98 2HB ASP 98 20.616 -7.396 -0.906 761 H VAL 99 H VAL 99 18.600 -8.695 -1.478 762 HA VAL 99 HA VAL 99 19.592 -10.443 -3.361 763 HB VAL 99 HB VAL 99 18.202 -12.050 -2.368 764 HG11 VAL 99 1HG1 VAL 99 18.230 -10.301 0.021 765 HG12 VAL 99 2HG1 VAL 99 18.970 -11.898 -0.247 766 HG13 VAL 99 3HG1 VAL 99 19.777 -10.430 -0.849 767 HG21 VAL 99 1HG2 VAL 99 16.010 -11.282 -2.616 768 HG22 VAL 99 2HG2 VAL 99 16.248 -11.264 -0.852 769 HG23 VAL 99 3HG2 VAL 99 16.345 -9.747 -1.779 770 H GLY 100 H GLY 100 16.475 -8.631 -3.275 771 HA2 GLY 100 1HA GLY 100 16.117 -8.117 -5.862 772 HA3 GLY 100 2HA GLY 100 15.651 -9.806 -5.807 773 H LYS 101 H LYS 101 13.434 -9.317 -6.313 774 HA LYS 101 HA LYS 101 12.024 -7.934 -4.138 775 HB2 LYS 101 1HB LYS 101 11.791 -6.682 -6.159 776 HB3 LYS 101 2HB LYS 101 11.429 -8.116 -7.098 777 HG2 LYS 101 1HG LYS 101 9.466 -8.293 -5.187 778 HG3 LYS 101 2HG LYS 101 9.662 -6.553 -5.260 779 HD2 LYS 101 1HD LYS 101 8.975 -8.429 -7.562 780 HD3 LYS 101 2HD LYS 101 7.966 -7.166 -6.885 781 HE2 LYS 101 1HE LYS 101 10.250 -5.743 -7.582 782 HE3 LYS 101 2HE LYS 101 10.192 -6.958 -8.843 783 HZ1 LYS 101 1HZ LYS 101 7.622 -6.065 -8.528 784 HZ2 LYS 101 2HZ LYS 101 8.547 -4.720 -8.501 785 HZ3 LYS 101 3HZ LYS 101 8.630 -5.742 -9.772 786 H GLY 102 H GLY 102 10.215 -8.931 -3.196 787 HA2 GLY 102 1HA GLY 102 10.130 -11.825 -3.591 788 HA3 GLY 102 2HA GLY 102 9.450 -10.908 -2.261 789 H GLN 103 H GLN 103 7.273 -10.464 -2.269 790 HA GLN 103 HA GLN 103 5.947 -10.461 -4.844 791 HB2 GLN 103 1HB GLN 103 4.170 -11.962 -4.053 792 HB3 GLN 103 2HB GLN 103 5.723 -12.770 -3.963 793 HG2 GLN 103 1HG GLN 103 5.391 -11.418 -1.465 794 HG3 GLN 103 2HG GLN 103 3.849 -12.173 -1.815 795 HE21 GLN 103 1HE2 GLN 103 3.634 -14.359 -1.846 796 HE22 GLN 103 2HE2 GLN 103 4.862 -15.473 -1.343 797 H PHE 104 H PHE 104 3.532 -9.706 -4.514 798 HA PHE 104 HA PHE 104 3.666 -7.464 -2.650 799 HB2 PHE 104 1HB PHE 104 1.851 -8.198 -5.026 800 HB3 PHE 104 2HB PHE 104 1.718 -6.697 -4.132 801 HD1 PHE 104 2HD PHE 104 4.316 -8.671 -5.955 802 HD2 PHE 104 1HD PHE 104 2.757 -4.839 -5.011 803 HE1 PHE 104 2HE PHE 104 5.996 -7.610 -7.488 804 HE2 PHE 104 1HE PHE 104 4.437 -3.778 -6.545 805 HZ PHE 104 HZ PHE 104 6.036 -5.176 -7.765 806 H SER 105 H SER 105 1.638 -6.842 -1.483 807 HA SER 105 HA SER 105 0.556 -9.173 -0.271 808 HB2 SER 105 1HB SER 105 -0.818 -7.300 0.981 809 HB3 SER 105 2HB SER 105 0.896 -7.484 1.299 810 HG SER 105 HG SER 105 -0.483 -5.383 0.047 811 H LYS 106 H LYS 106 -1.842 -9.526 -0.014 812 HA LYS 106 HA LYS 106 -3.115 -9.575 -2.483 813 HB2 LYS 106 1HB LYS 106 -4.887 -10.593 -1.365 814 HB3 LYS 106 2HB LYS 106 -3.495 -11.009 -0.386 815 HG2 LYS 106 1HG LYS 106 -4.974 -10.278 1.268 816 HG3 LYS 106 2HG LYS 106 -4.099 -8.794 0.944 817 HD2 LYS 106 1HD LYS 106 -6.049 -7.783 0.392 818 HD3 LYS 106 2HD LYS 106 -6.218 -8.877 -0.967 819 HE2 LYS 106 1HE LYS 106 -8.189 -9.327 0.220 820 HE3 LYS 106 2HE LYS 106 -7.134 -10.581 0.839 821 HZ1 LYS 106 1HZ LYS 106 -6.932 -9.529 2.814 822 HZ2 LYS 106 2HZ LYS 106 -7.132 -8.027 2.207 823 HZ3 LYS 106 3HZ LYS 106 -8.426 -9.000 2.420 824 H ASP 107 H ASP 107 -5.244 -8.511 -3.035 825 HA ASP 107 HA ASP 107 -4.884 -5.780 -3.062 826 HB2 ASP 107 1HB ASP 107 -7.380 -5.801 -3.779 827 HB3 ASP 107 2HB ASP 107 -6.242 -6.683 -4.779 828 H THR 108 H THR 108 -4.850 -4.665 -1.069 829 HA THR 108 HA THR 108 -6.066 -5.308 1.259 830 HB THR 108 HB THR 108 -5.954 -2.776 1.666 831 HG1 THR 108 1HG THR 108 -6.240 -1.815 -0.330 832 HG21 THR 108 1HG2 THR 108 -3.722 -4.493 0.674 833 HG22 THR 108 2HG2 THR 108 -3.428 -2.743 0.537 834 HG23 THR 108 3HG2 THR 108 -3.795 -3.463 2.123 835 H GLU 109 H GLU 109 -7.988 -4.712 2.388 836 HA GLU 109 HA GLU 109 -10.267 -5.326 1.244 837 HB2 GLU 109 1HB GLU 109 -9.534 -4.260 3.685 838 HB3 GLU 109 2HB GLU 109 -10.581 -2.998 3.066 839 HG2 GLU 109 1HG GLU 109 -12.097 -5.181 2.431 840 HG3 GLU 109 2HG GLU 109 -11.248 -5.821 3.824 841 H ARG 110 H ARG 110 -11.425 -4.632 -0.496 842 HA ARG 110 HA ARG 110 -10.830 -2.676 -2.121 843 HB2 ARG 110 1HB ARG 110 -12.888 -4.388 -2.027 844 HB3 ARG 110 2HB ARG 110 -13.773 -2.984 -1.467 845 HG2 ARG 110 1HG ARG 110 -12.488 -1.862 -3.596 846 HG3 ARG 110 2HG ARG 110 -12.563 -3.520 -4.159 847 HD2 ARG 110 1HD ARG 110 -15.139 -2.874 -3.031 848 HD3 ARG 110 2HD ARG 110 -14.683 -1.556 -4.092 849 HE ARG 110 HE ARG 110 -14.988 -2.976 -5.917 850 HH11 ARG 110 2HH2 ARG 110 -14.478 -4.936 -3.040 851 HH12 ARG 110 1HH2 ARG 110 -14.774 -6.436 -3.853 852 HH21 ARG 110 2HH1 ARG 110 -15.379 -4.955 -6.991 853 HH22 ARG 110 1HH1 ARG 110 -15.290 -6.447 -6.116 854 H VAL 111 H VAL 111 -10.119 -0.653 -1.371 855 HA VAL 111 HA VAL 111 -11.829 0.774 0.503 856 HB VAL 111 HB VAL 111 -9.073 1.345 -0.603 857 HG11 VAL 111 1HG1 VAL 111 -9.029 2.995 1.362 858 HG12 VAL 111 2HG1 VAL 111 -9.973 3.460 -0.073 859 HG13 VAL 111 3HG1 VAL 111 -10.802 2.842 1.376 860 HG21 VAL 111 1HG2 VAL 111 -10.089 -0.108 1.792 861 HG22 VAL 111 2HG2 VAL 111 -8.615 -0.368 0.828 862 HG23 VAL 111 3HG2 VAL 111 -8.675 0.949 2.024 863 H SER 112 H SER 112 -13.038 2.569 -0.031 864 HA SER 112 HA SER 112 -12.769 3.450 -2.798 865 HB2 SER 112 1HB SER 112 -14.798 2.239 -2.842 866 HB3 SER 112 2HB SER 112 -15.249 2.732 -1.222 867 HG SER 112 HG SER 112 -16.281 4.409 -2.046 868 H LEU 113 H LEU 113 -12.975 5.723 -3.144 869 HA LEU 113 HA LEU 113 -12.619 7.285 -0.737 870 HB2 LEU 113 1HB LEU 113 -11.561 7.347 -3.299 871 HB3 LEU 113 2HB LEU 113 -12.661 8.711 -3.280 872 HG LEU 113 HG LEU 113 -11.217 8.846 -0.851 873 HD11 LEU 113 1HD1 LEU 113 -9.327 7.718 -1.285 874 HD12 LEU 113 2HD1 LEU 113 -9.614 7.702 -3.041 875 HD13 LEU 113 3HD1 LEU 113 -8.906 9.140 -2.269 876 HD21 LEU 113 1HD2 LEU 113 -10.297 10.599 -3.020 877 HD22 LEU 113 2HD2 LEU 113 -12.066 10.540 -2.830 878 HD23 LEU 113 3HD2 LEU 113 -11.037 10.994 -1.451 879 HA PRO 114 HA PRO 114 -16.624 8.888 -0.681 880 HB2 PRO 114 1HB PRO 114 -16.256 11.360 0.425 881 HB3 PRO 114 2HB PRO 114 -16.290 9.883 1.368 882 HG2 PRO 114 1HG PRO 114 -13.965 11.543 0.608 883 HG3 PRO 114 2HG PRO 114 -14.085 10.335 1.872 884 HD2 PRO 114 1HD PRO 114 -12.814 10.027 -0.681 885 HD3 PRO 114 2HD PRO 114 -13.035 8.786 0.537 886 H GLU 115 H GLU 115 -18.235 10.192 -1.657 887 HA GLU 115 HA GLU 115 -17.405 10.989 -4.206 888 HB2 GLU 115 1HB GLU 115 -19.755 10.193 -3.262 889 HB3 GLU 115 2HB GLU 115 -20.013 11.903 -2.982 890 HG2 GLU 115 1HG GLU 115 -19.789 12.441 -5.310 891 HG3 GLU 115 2HG GLU 115 -19.046 10.898 -5.684 892 H SER 116 H SER 116 -17.915 13.255 -5.133 893 HA SER 116 HA SER 116 -16.908 15.186 -3.202 894 HB2 SER 116 1HB SER 116 -16.081 16.456 -5.137 895 HB3 SER 116 2HB SER 116 -15.485 14.809 -5.196 896 HG SER 116 HG SER 116 -17.035 14.291 -6.798 897 H GLY 117 H GLY 117 -18.729 16.125 -2.264 898 HA2 GLY 117 1HA GLY 117 -20.196 18.045 -3.587 899 HA3 GLY 117 2HA GLY 117 -21.145 16.577 -3.711 900 HA PRO 118 HA PRO 118 -21.785 18.512 0.426 901 HB2 PRO 118 1HB PRO 118 -24.302 19.528 0.102 902 HB3 PRO 118 2HB PRO 118 -22.849 20.493 -0.068 903 HG2 PRO 118 1HG PRO 118 -24.636 19.446 -2.177 904 HG3 PRO 118 2HG PRO 118 -23.454 20.736 -2.281 905 HD2 PRO 118 1HD PRO 118 -23.167 18.061 -3.276 906 HD3 PRO 118 2HD PRO 118 -21.944 19.316 -3.275 907 H SER 119 H SER 119 -21.963 16.850 1.786 908 HA SER 119 HA SER 119 -22.847 15.137 2.781 909 HB2 SER 119 1HB SER 119 -25.197 16.687 1.919 910 HB3 SER 119 2HB SER 119 -25.566 14.984 2.096 911 HG SER 119 HG SER 119 -24.576 15.108 4.269 912 H SER 120 H SER 120 -23.208 12.877 2.405 913 HA SER 120 HA SER 120 -22.664 12.061 -0.202 914 HB2 SER 120 1HB SER 120 -23.697 10.422 2.155 915 HB3 SER 120 2HB SER 120 -22.956 9.762 0.710 916 HG SER 120 HG SER 120 -21.757 10.819 2.961 917 H GLY 121 H GLY 121 -24.002 11.160 -1.824 918 HA2 GLY 121 1HA GLY 121 -26.585 10.223 -1.521 919 HA3 GLY 121 2HA GLY 121 -26.734 11.947 -1.800 Start of MODEL 10 1 H1 GLY 1 H GLY 1 4.132 -27.452 5.000 2 HA2 GLY 1 1HA GLY 1 5.971 -25.245 4.411 3 HA3 GLY 1 2HA GLY 1 6.641 -26.735 5.046 4 H SER 2 H SER 2 6.283 -28.781 3.833 5 HA SER 2 HA SER 2 6.184 -29.992 2.031 6 HB2 SER 2 1HB SER 2 4.110 -28.040 1.568 7 HB3 SER 2 2HB SER 2 4.917 -28.342 0.042 8 HG SER 2 HG SER 2 3.044 -29.841 1.074 9 H SER 3 H SER 3 6.275 -26.663 0.553 10 HA SER 3 HA SER 3 8.543 -27.496 -0.991 11 HB2 SER 3 1HB SER 3 8.271 -25.303 -2.119 12 HB3 SER 3 2HB SER 3 6.765 -26.199 -2.083 13 HG SER 3 HG SER 3 5.872 -24.586 -1.011 14 H GLY 4 H GLY 4 10.654 -26.544 -0.867 15 HA2 GLY 4 1HA GLY 4 11.739 -24.475 0.222 16 HA3 GLY 4 2HA GLY 4 11.193 -25.226 1.708 17 H SER 5 H SER 5 12.685 -26.480 2.731 18 HA SER 5 HA SER 5 14.330 -27.854 3.082 19 HB2 SER 5 1HB SER 5 13.189 -29.349 1.434 20 HB3 SER 5 2HB SER 5 14.112 -28.619 0.136 21 HG SER 5 HG SER 5 15.076 -30.242 2.318 22 H SER 6 H SER 6 16.750 -28.259 2.517 23 HA SER 6 HA SER 6 17.743 -25.802 1.314 24 HB2 SER 6 1HB SER 6 19.664 -25.982 2.732 25 HB3 SER 6 2HB SER 6 18.281 -26.329 3.751 26 HG SER 6 HG SER 6 20.439 -27.896 3.258 27 H GLY 7 H GLY 7 19.985 -26.068 0.207 28 HA2 GLY 7 1HA GLY 7 21.189 -28.306 -0.638 29 HA3 GLY 7 2HA GLY 7 19.776 -28.267 -1.674 30 H ARG 8 H ARG 8 21.911 -25.643 -0.335 31 HA ARG 8 HA ARG 8 22.582 -25.004 -3.082 32 HB2 ARG 8 1HB ARG 8 21.017 -23.361 -1.203 33 HB3 ARG 8 2HB ARG 8 22.448 -22.509 -1.750 34 HG2 ARG 8 1HG ARG 8 21.174 -23.886 -3.994 35 HG3 ARG 8 2HG ARG 8 20.009 -22.868 -3.170 36 HD2 ARG 8 1HD ARG 8 22.768 -21.807 -3.898 37 HD3 ARG 8 2HD ARG 8 21.464 -21.799 -5.068 38 HE ARG 8 HE ARG 8 20.740 -20.632 -2.468 39 HH11 ARG 8 2HH2 ARG 8 22.050 -20.006 -5.674 40 HH12 ARG 8 1HH2 ARG 8 21.667 -18.317 -5.640 41 HH21 ARG 8 2HH1 ARG 8 20.235 -18.404 -2.423 42 HH22 ARG 8 1HH1 ARG 8 20.628 -17.400 -3.779 43 H SER 9 H SER 9 24.541 -23.440 -3.159 44 HA SER 9 HA SER 9 26.454 -24.423 -1.300 45 HB2 SER 9 1HB SER 9 26.454 -22.964 -3.878 46 HB3 SER 9 2HB SER 9 27.738 -22.462 -2.796 47 HG SER 9 HG SER 9 28.694 -24.179 -3.730 48 H ALA 10 H ALA 10 27.480 -23.275 0.380 49 HA ALA 10 HA ALA 10 26.074 -20.965 1.319 50 HB1 ALA 10 1HB ALA 10 26.732 -22.433 3.020 51 HB2 ALA 10 2HB ALA 10 28.330 -22.721 2.291 52 HB3 ALA 10 3HB ALA 10 27.987 -21.173 3.099 53 H HIS 11 H HIS 11 26.427 -18.978 0.464 54 HA HIS 11 HA HIS 11 29.215 -18.308 -0.126 55 HB2 HIS 11 1HB HIS 11 28.311 -18.569 -2.263 56 HB3 HIS 11 2HB HIS 11 26.756 -17.904 -1.807 57 HD1 HIS 11 1HD HIS 11 26.637 -16.000 -3.490 58 HD2 HIS 11 2HD HIS 11 30.167 -15.967 -1.225 59 HE1 HIS 11 1HE HIS 11 27.808 -13.797 -4.024 60 H LEU 12 H LEU 12 28.772 -17.715 2.308 61 HA LEU 12 HA LEU 12 28.538 -16.140 3.836 62 HB2 LEU 12 1HB LEU 12 29.650 -14.908 1.611 63 HB3 LEU 12 2HB LEU 12 28.360 -13.821 2.083 64 HG LEU 12 HG LEU 12 29.524 -14.304 4.506 65 HD11 LEU 12 1HD1 LEU 12 32.034 -13.891 3.938 66 HD12 LEU 12 2HD1 LEU 12 31.380 -15.547 3.919 67 HD13 LEU 12 3HD1 LEU 12 31.623 -14.668 2.390 68 HD21 LEU 12 1HD2 LEU 12 30.769 -12.089 4.016 69 HD22 LEU 12 2HD2 LEU 12 29.935 -12.151 2.445 70 HD23 LEU 12 3HD2 LEU 12 28.991 -12.112 3.954 71 H ARG 13 H ARG 13 26.401 -17.069 4.281 72 HA ARG 13 HA ARG 13 24.296 -16.889 4.724 73 HB2 ARG 13 1HB ARG 13 24.840 -13.962 4.080 74 HB3 ARG 13 2HB ARG 13 23.232 -14.492 4.531 75 HG2 ARG 13 1HG ARG 13 23.798 -14.653 6.729 76 HG3 ARG 13 2HG ARG 13 25.229 -15.598 6.367 77 HD2 ARG 13 1HD ARG 13 26.622 -13.735 6.302 78 HD3 ARG 13 2HD ARG 13 25.371 -12.680 5.677 79 HE ARG 13 HE ARG 13 24.784 -13.562 8.391 80 HH11 ARG 13 2HH2 ARG 13 26.633 -11.237 6.504 81 HH12 ARG 13 1HH2 ARG 13 26.726 -10.078 7.787 82 HH21 ARG 13 2HH1 ARG 13 24.907 -12.033 10.084 83 HH22 ARG 13 1HH1 ARG 13 25.738 -10.533 9.837 84 H VAL 14 H VAL 14 22.313 -17.307 3.638 85 HA VAL 14 HA VAL 14 22.492 -17.172 0.753 86 HB VAL 14 HB VAL 14 21.744 -19.154 2.253 87 HG11 VAL 14 1HG1 VAL 14 19.321 -19.264 2.654 88 HG12 VAL 14 2HG1 VAL 14 20.068 -17.924 3.556 89 HG13 VAL 14 3HG1 VAL 14 19.144 -17.592 2.072 90 HG21 VAL 14 1HG2 VAL 14 21.692 -19.045 -0.246 91 HG22 VAL 14 2HG2 VAL 14 20.398 -20.042 0.460 92 HG23 VAL 14 3HG2 VAL 14 20.034 -18.407 -0.141 93 H ARG 15 H ARG 15 21.483 -15.679 -0.508 94 HA ARG 15 HA ARG 15 20.039 -13.641 0.867 95 HB2 ARG 15 1HB ARG 15 21.258 -14.021 -1.844 96 HB3 ARG 15 2HB ARG 15 19.862 -12.962 -1.797 97 HG2 ARG 15 1HG ARG 15 20.976 -11.685 0.103 98 HG3 ARG 15 2HG ARG 15 22.402 -12.678 -0.125 99 HD2 ARG 15 1HD ARG 15 21.209 -11.193 -2.489 100 HD3 ARG 15 2HD ARG 15 22.231 -10.338 -1.352 101 HE ARG 15 HE ARG 15 24.103 -11.587 -2.088 102 HH11 ARG 15 2HH2 ARG 15 21.137 -12.864 -3.487 103 HH12 ARG 15 1HH2 ARG 15 21.959 -13.867 -4.635 104 HH21 ARG 15 2HH1 ARG 15 25.188 -12.910 -3.603 105 HH22 ARG 15 1HH1 ARG 15 24.279 -13.893 -4.702 106 H GLN 16 H GLN 16 17.995 -14.484 1.478 107 HA GLN 16 HA GLN 16 16.459 -15.803 -0.578 108 HB2 GLN 16 1HB GLN 16 16.638 -16.013 2.261 109 HB3 GLN 16 2HB GLN 16 15.022 -15.426 1.919 110 HG2 GLN 16 1HG GLN 16 15.021 -17.883 1.907 111 HG3 GLN 16 2HG GLN 16 14.681 -17.292 0.293 112 HE21 GLN 16 1HE2 GLN 16 16.894 -18.946 2.361 113 HE22 GLN 16 2HE2 GLN 16 18.032 -19.474 1.166 114 H LEU 17 H LEU 17 14.223 -15.106 -1.085 115 HA LEU 17 HA LEU 17 14.109 -12.236 -1.263 116 HB2 LEU 17 1HB LEU 17 12.304 -14.427 -2.296 117 HB3 LEU 17 2HB LEU 17 12.061 -12.717 -2.598 118 HG LEU 17 HG LEU 17 14.614 -14.131 -3.383 119 HD11 LEU 17 1HD1 LEU 17 13.626 -14.269 -5.685 120 HD12 LEU 17 2HD1 LEU 17 12.909 -15.377 -4.490 121 HD13 LEU 17 3HD1 LEU 17 12.043 -13.895 -4.962 122 HD21 LEU 17 1HD2 LEU 17 13.582 -11.855 -4.951 123 HD22 LEU 17 2HD2 LEU 17 14.053 -11.471 -3.278 124 HD23 LEU 17 3HD2 LEU 17 15.230 -12.218 -4.385 125 HA PRO 18 HA PRO 18 11.574 -11.760 2.211 126 HB2 PRO 18 1HB PRO 18 10.762 -9.180 1.821 127 HB3 PRO 18 2HB PRO 18 12.310 -9.601 2.528 128 HG2 PRO 18 1HG PRO 18 11.724 -8.600 -0.192 129 HG3 PRO 18 2HG PRO 18 13.253 -8.622 0.665 130 HD2 PRO 18 1HD PRO 18 12.433 -10.404 -1.428 131 HD3 PRO 18 2HD PRO 18 13.912 -10.496 -0.492 132 H HIS 19 H HIS 19 9.587 -12.379 2.835 133 HA HIS 19 HA HIS 19 7.773 -12.954 0.779 134 HB2 HIS 19 1HB HIS 19 6.670 -14.110 2.363 135 HB3 HIS 19 2HB HIS 19 8.143 -13.862 3.280 136 HD1 HIS 19 1HD HIS 19 4.665 -13.698 3.775 137 HD2 HIS 19 2HD HIS 19 7.820 -11.112 4.752 138 HE1 HIS 19 1HE HIS 19 3.808 -12.205 5.658 139 H ALA 20 H ALA 20 5.433 -12.137 0.767 140 HA ALA 20 HA ALA 20 5.485 -9.353 0.363 141 HB1 ALA 20 1HB ALA 20 3.590 -11.613 0.117 142 HB2 ALA 20 2HB ALA 20 2.823 -10.044 0.459 143 HB3 ALA 20 3HB ALA 20 3.870 -10.231 -0.969 144 HA PRO 21 HA PRO 21 4.252 -7.842 4.222 145 HB2 PRO 21 1HB PRO 21 2.596 -5.754 3.616 146 HB3 PRO 21 2HB PRO 21 4.343 -5.651 3.520 147 HG2 PRO 21 1HG PRO 21 2.376 -5.877 1.325 148 HG3 PRO 21 2HG PRO 21 4.047 -5.354 1.252 149 HD2 PRO 21 1HD PRO 21 3.011 -7.903 0.445 150 HD3 PRO 21 2HD PRO 21 4.695 -7.420 0.482 151 H GLU 22 H GLU 22 2.740 -7.779 5.947 152 HA GLU 22 HA GLU 22 0.347 -9.239 5.141 153 HB2 GLU 22 1HB GLU 22 2.238 -9.527 7.396 154 HB3 GLU 22 2HB GLU 22 0.561 -9.530 7.906 155 HG2 GLU 22 1HG GLU 22 0.467 -11.170 5.664 156 HG3 GLU 22 2HG GLU 22 2.053 -11.544 6.308 157 H HIS 23 H HIS 23 -1.427 -8.886 7.109 158 HA HIS 23 HA HIS 23 -3.024 -7.435 7.628 159 HB2 HIS 23 1HB HIS 23 -0.810 -7.182 9.307 160 HB3 HIS 23 2HB HIS 23 -1.274 -5.526 8.974 161 HD1 HIS 23 1HD HIS 23 -3.921 -4.960 9.475 162 HD2 HIS 23 2HD HIS 23 -2.342 -8.436 11.214 163 HE1 HIS 23 1HE HIS 23 -5.518 -5.606 11.358 164 HA PRO 24 HA PRO 24 -1.822 -4.347 4.433 165 HB2 PRO 24 1HB PRO 24 -3.117 -5.372 2.255 166 HB3 PRO 24 2HB PRO 24 -1.412 -5.632 2.567 167 HG2 PRO 24 1HG PRO 24 -3.666 -7.515 2.903 168 HG3 PRO 24 2HG PRO 24 -1.952 -7.863 2.796 169 HD2 PRO 24 1HD PRO 24 -3.555 -7.849 5.175 170 HD3 PRO 24 2HD PRO 24 -1.821 -8.082 5.081 171 H VAL 25 H VAL 25 -3.072 -3.066 5.916 172 HA VAL 25 HA VAL 25 -5.911 -3.080 5.240 173 HB VAL 25 HB VAL 25 -4.523 -1.499 7.399 174 HG11 VAL 25 1HG1 VAL 25 -6.752 -1.642 8.486 175 HG12 VAL 25 2HG1 VAL 25 -6.800 -0.805 6.915 176 HG13 VAL 25 3HG1 VAL 25 -7.374 -2.485 7.047 177 HG21 VAL 25 1HG2 VAL 25 -5.579 -4.341 7.577 178 HG22 VAL 25 2HG2 VAL 25 -3.880 -3.831 7.714 179 HG23 VAL 25 3HG2 VAL 25 -5.058 -3.344 8.956 180 H ALA 26 H ALA 26 -6.905 -1.415 4.149 181 HA ALA 26 HA ALA 26 -5.335 1.002 3.684 182 HB1 ALA 26 1HB ALA 26 -6.643 -0.657 1.490 183 HB2 ALA 26 2HB ALA 26 -5.804 0.898 1.276 184 HB3 ALA 26 3HB ALA 26 -4.892 -0.542 1.790 185 H THR 27 H THR 27 -6.623 2.507 4.646 186 HA THR 27 HA THR 27 -9.473 2.439 3.909 187 HB THR 27 HB THR 27 -9.515 3.592 6.377 188 HG1 THR 27 1HG THR 27 -7.345 1.617 6.229 189 HG21 THR 27 1HG2 THR 27 -9.339 0.583 5.822 190 HG22 THR 27 2HG2 THR 27 -9.901 1.291 7.355 191 HG23 THR 27 3HG2 THR 27 -10.828 1.559 5.859 192 H LEU 28 H LEU 28 -10.543 4.618 4.148 193 HA LEU 28 HA LEU 28 -9.156 6.456 2.588 194 HB2 LEU 28 1HB LEU 28 -11.738 6.232 3.920 195 HB3 LEU 28 2HB LEU 28 -11.144 7.880 3.893 196 HG LEU 28 HG LEU 28 -11.584 6.079 1.498 197 HD11 LEU 28 1HD1 LEU 28 -12.961 8.701 2.039 198 HD12 LEU 28 2HD1 LEU 28 -13.450 7.365 0.969 199 HD13 LEU 28 3HD1 LEU 28 -13.565 7.179 2.736 200 HD21 LEU 28 1HD2 LEU 28 -10.282 7.371 0.250 201 HD22 LEU 28 2HD2 LEU 28 -11.093 8.844 0.834 202 HD23 LEU 28 3HD2 LEU 28 -9.720 8.166 1.740 203 H SER 29 H SER 29 -8.718 8.804 3.260 204 HA SER 29 HA SER 29 -7.121 8.647 5.661 205 HB2 SER 29 1HB SER 29 -7.076 10.239 3.144 206 HB3 SER 29 2HB SER 29 -6.602 11.128 4.579 207 HG SER 29 HG SER 29 -4.748 10.138 3.662 208 H THR 30 H THR 30 -8.103 9.283 7.547 209 HA THR 30 HA THR 30 -10.353 11.104 7.423 210 HB THR 30 HB THR 30 -10.658 10.409 9.741 211 HG1 THR 30 1HG THR 30 -8.087 9.059 9.450 212 HG21 THR 30 1HG2 THR 30 -10.399 7.904 9.639 213 HG22 THR 30 2HG2 THR 30 -11.190 8.552 8.183 214 HG23 THR 30 3HG2 THR 30 -9.472 8.087 8.131 215 H VAL 31 H VAL 31 -7.278 11.758 6.951 216 HA VAL 31 HA VAL 31 -7.398 14.153 8.646 217 HB VAL 31 HB VAL 31 -4.979 14.045 8.881 218 HG11 VAL 31 1HG1 VAL 31 -4.859 12.258 10.498 219 HG12 VAL 31 2HG1 VAL 31 -6.488 12.971 10.563 220 HG13 VAL 31 3HG1 VAL 31 -6.230 11.415 9.738 221 HG21 VAL 31 1HG2 VAL 31 -3.854 11.815 8.289 222 HG22 VAL 31 2HG2 VAL 31 -5.256 11.526 7.231 223 HG23 VAL 31 3HG2 VAL 31 -4.205 12.935 6.951 224 H GLU 32 H GLU 32 -6.015 12.586 5.684 225 HA GLU 32 HA GLU 32 -5.915 15.248 4.515 226 HB2 GLU 32 1HB GLU 32 -4.118 13.021 4.463 227 HB3 GLU 32 2HB GLU 32 -4.731 13.207 2.832 228 HG2 GLU 32 1HG GLU 32 -3.503 15.444 4.513 229 HG3 GLU 32 2HG GLU 32 -2.681 14.583 3.227 230 H ARG 33 H ARG 33 -7.252 15.806 2.813 231 HA ARG 33 HA ARG 33 -9.368 14.042 2.255 232 HB2 ARG 33 1HB ARG 33 -8.558 16.824 1.456 233 HB3 ARG 33 2HB ARG 33 -9.666 16.005 0.373 234 HG2 ARG 33 1HG ARG 33 -10.124 16.248 3.383 235 HG3 ARG 33 2HG ARG 33 -10.782 17.373 2.212 236 HD2 ARG 33 1HD ARG 33 -11.964 15.469 1.067 237 HD3 ARG 33 2HD ARG 33 -11.330 14.365 2.272 238 HE ARG 33 HE ARG 33 -13.511 16.285 2.639 239 HH11 ARG 33 2HH2 ARG 33 -11.057 14.369 4.278 240 HH12 ARG 33 1HH2 ARG 33 -11.896 14.357 5.793 241 HH21 ARG 33 2HH1 ARG 33 -14.619 16.270 4.637 242 HH22 ARG 33 1HH1 ARG 33 -13.936 15.446 5.999 243 H ARG 34 H ARG 34 -9.824 12.882 0.309 244 HA ARG 34 HA ARG 34 -9.417 11.791 -1.510 245 HB2 ARG 34 1HB ARG 34 -7.440 14.010 -2.239 246 HB3 ARG 34 2HB ARG 34 -8.146 12.864 -3.361 247 HG2 ARG 34 1HG ARG 34 -10.457 13.762 -2.550 248 HG3 ARG 34 2HG ARG 34 -9.558 15.081 -1.827 249 HD2 ARG 34 1HD ARG 34 -9.376 14.311 -4.780 250 HD3 ARG 34 2HD ARG 34 -10.414 15.579 -4.162 251 HE ARG 34 HE ARG 34 -7.680 15.953 -3.268 252 HH11 ARG 34 2HH2 ARG 34 -9.803 16.377 -6.042 253 HH12 ARG 34 1HH2 ARG 34 -8.866 17.664 -6.724 254 HH21 ARG 34 2HH1 ARG 34 -6.443 17.651 -4.167 255 HH22 ARG 34 1HH1 ARG 34 -6.942 18.394 -5.651 256 H ALA 35 H ALA 35 -7.760 11.356 0.925 257 HA ALA 35 HA ALA 35 -5.412 10.163 -0.382 258 HB1 ALA 35 1HB ALA 35 -4.229 10.564 1.799 259 HB2 ALA 35 2HB ALA 35 -4.677 12.059 0.944 260 HB3 ALA 35 3HB ALA 35 -5.637 11.509 2.339 261 H ILE 36 H ILE 36 -4.514 8.301 1.080 262 HA ILE 36 HA ILE 36 -6.681 6.966 2.499 263 HB ILE 36 HB ILE 36 -5.257 5.907 0.071 264 HG12 ILE 36 1HG1 ILE 36 -8.190 6.059 0.828 265 HG13 ILE 36 2HG1 ILE 36 -7.362 7.147 -0.269 266 HG21 ILE 36 1HG2 ILE 36 -5.219 3.842 0.871 267 HG22 ILE 36 2HG2 ILE 36 -5.784 4.445 2.448 268 HG23 ILE 36 3HG2 ILE 36 -6.962 3.923 1.220 269 HD11 ILE 36 1HD1 ILE 36 -6.861 5.311 -1.815 270 HD12 ILE 36 2HD1 ILE 36 -7.528 4.125 -0.668 271 HD13 ILE 36 3HD1 ILE 36 -8.603 5.307 -1.451 272 H ASN 37 H ASN 37 -5.972 5.700 4.224 273 HA ASN 37 HA ASN 37 -3.201 6.124 4.863 274 HB2 ASN 37 1HB ASN 37 -5.625 5.968 6.351 275 HB3 ASN 37 2HB ASN 37 -4.728 4.533 6.808 276 HD21 ASN 37 1HD2 ASN 37 -4.935 7.967 6.923 277 HD22 ASN 37 2HD2 ASN 37 -3.600 8.283 7.981 278 H LEU 38 H LEU 38 -1.830 4.551 3.976 279 HA LEU 38 HA LEU 38 -2.839 1.824 3.773 280 HB2 LEU 38 1HB LEU 38 -1.525 3.356 1.987 281 HB3 LEU 38 2HB LEU 38 -0.160 2.565 2.749 282 HG LEU 38 HG LEU 38 -1.368 1.554 0.621 283 HD11 LEU 38 1HD1 LEU 38 0.582 0.694 2.145 284 HD12 LEU 38 2HD1 LEU 38 -0.648 -0.451 2.730 285 HD13 LEU 38 3HD1 LEU 38 -0.225 -0.406 1.002 286 HD21 LEU 38 1HD2 LEU 38 -3.567 1.481 1.946 287 HD22 LEU 38 2HD2 LEU 38 -3.107 0.040 1.006 288 HD23 LEU 38 3HD2 LEU 38 -2.869 0.065 2.770 289 H THR 39 H THR 39 -2.279 0.263 5.199 290 HA THR 39 HA THR 39 0.207 0.601 6.697 291 HB THR 39 HB THR 39 -1.026 0.165 8.826 292 HG1 THR 39 1HG THR 39 -3.081 -0.593 8.518 293 HG21 THR 39 1HG2 THR 39 -0.817 2.569 8.205 294 HG22 THR 39 2HG2 THR 39 -2.270 2.436 7.186 295 HG23 THR 39 3HG2 THR 39 -2.402 2.261 8.953 296 H TRP 40 H TRP 40 1.382 -1.205 6.640 297 HA TRP 40 HA TRP 40 -0.088 -3.731 6.364 298 HB2 TRP 40 1HB TRP 40 1.598 -4.531 4.797 299 HB3 TRP 40 2HB TRP 40 0.699 -3.167 4.163 300 HD1 TRP 40 HD TRP 40 4.241 -4.235 4.977 301 HE1 TRP 40 1HE TRP 40 6.011 -2.381 4.353 302 HE3 TRP 40 3HE TRP 40 0.851 -0.544 4.115 303 HZ2 TRP 40 2HZ TRP 40 5.800 0.360 3.585 304 HZ3 TRP 40 3HZ TRP 40 1.717 1.691 3.432 305 HH2 TRP 40 HH TRP 40 4.098 2.172 3.163 306 H THR 41 H THR 41 1.811 -5.569 6.708 307 HA THR 41 HA THR 41 3.081 -4.780 9.237 308 HB THR 41 HB THR 41 2.072 -7.423 8.081 309 HG1 THR 41 1HG THR 41 1.604 -5.660 10.378 310 HG21 THR 41 1HG2 THR 41 2.701 -8.294 10.421 311 HG22 THR 41 2HG2 THR 41 4.074 -8.047 9.316 312 HG23 THR 41 3HG2 THR 41 3.729 -6.850 10.587 313 H LYS 42 H LYS 42 5.217 -5.706 9.745 314 HA LYS 42 HA LYS 42 6.941 -5.305 7.498 315 HB2 LYS 42 1HB LYS 42 7.185 -4.725 10.100 316 HB3 LYS 42 2HB LYS 42 7.961 -6.296 10.125 317 HG2 LYS 42 1HG LYS 42 8.717 -4.227 8.028 318 HG3 LYS 42 2HG LYS 42 9.428 -4.179 9.629 319 HD2 LYS 42 1HD LYS 42 10.053 -6.665 9.278 320 HD3 LYS 42 2HD LYS 42 9.601 -6.446 7.599 321 HE2 LYS 42 1HE LYS 42 11.978 -6.064 7.709 322 HE3 LYS 42 2HE LYS 42 11.242 -4.489 7.495 323 HZ1 LYS 42 1HZ LYS 42 11.318 -4.899 10.191 324 HZ2 LYS 42 2HZ LYS 42 12.764 -5.437 9.656 325 HZ3 LYS 42 3HZ LYS 42 12.289 -3.909 9.327 326 HA PRO 43 HA PRO 43 6.854 -9.568 6.499 327 HB2 PRO 43 1HB PRO 43 8.109 -9.357 4.081 328 HB3 PRO 43 2HB PRO 43 6.380 -9.156 4.284 329 HG2 PRO 43 1HG PRO 43 8.446 -7.089 3.835 330 HG3 PRO 43 2HG PRO 43 6.711 -6.972 3.618 331 HD2 PRO 43 1HD PRO 43 8.245 -5.909 5.797 332 HD3 PRO 43 2HD PRO 43 6.500 -5.894 5.638 333 H PHE 44 H PHE 44 8.214 -11.375 6.552 334 HA PHE 44 HA PHE 44 10.583 -10.864 7.968 335 HB2 PHE 44 1HB PHE 44 9.293 -12.962 8.164 336 HB3 PHE 44 2HB PHE 44 9.383 -13.239 6.436 337 HD1 PHE 44 2HD PHE 44 11.756 -13.613 5.449 338 HD2 PHE 44 1HD PHE 44 10.844 -13.966 9.578 339 HE1 PHE 44 2HE PHE 44 13.808 -15.019 5.781 340 HE2 PHE 44 1HE PHE 44 12.896 -15.373 9.910 341 HZ PHE 44 HZ PHE 44 14.353 -15.883 8.008 342 H ASP 45 H ASP 45 12.659 -10.496 7.304 343 HA ASP 45 HA ASP 45 13.076 -10.157 4.520 344 HB2 ASP 45 1HB ASP 45 15.225 -9.268 5.151 345 HB3 ASP 45 2HB ASP 45 14.080 -8.717 6.358 346 H GLY 46 H GLY 46 14.099 -11.638 3.125 347 HA2 GLY 46 1HA GLY 46 14.378 -14.306 3.752 348 HA3 GLY 46 2HA GLY 46 15.156 -13.489 2.411 349 H ASN 47 H ASN 47 16.735 -11.607 4.066 350 HA ASN 47 HA ASN 47 18.181 -12.840 6.017 351 HB2 ASN 47 1HB ASN 47 18.760 -14.135 3.628 352 HB3 ASN 47 2HB ASN 47 20.007 -12.903 3.649 353 HD21 ASN 47 1HD2 ASN 47 20.053 -15.855 4.002 354 HD22 ASN 47 2HD2 ASN 47 20.896 -16.157 5.485 355 H SER 48 H SER 48 18.130 -10.787 3.074 356 HA SER 48 HA SER 48 20.081 -9.011 4.251 357 HB2 SER 48 1HB SER 48 19.219 -9.679 1.556 358 HB3 SER 48 2HB SER 48 19.085 -7.948 1.797 359 HG SER 48 HG SER 48 21.224 -7.760 1.825 360 HA PRO 49 HA PRO 49 17.068 -6.111 5.450 361 HB2 PRO 49 1HB PRO 49 18.369 -3.722 5.193 362 HB3 PRO 49 2HB PRO 49 18.614 -4.806 6.548 363 HG2 PRO 49 1HG PRO 49 20.387 -4.297 4.238 364 HG3 PRO 49 2HG PRO 49 20.778 -5.026 5.783 365 HD2 PRO 49 1HD PRO 49 20.394 -6.390 3.289 366 HD3 PRO 49 2HD PRO 49 20.671 -7.127 4.854 367 H LEU 50 H LEU 50 15.320 -4.857 4.830 368 HA LEU 50 HA LEU 50 14.731 -4.992 2.125 369 HB2 LEU 50 1HB LEU 50 13.587 -3.189 4.263 370 HB3 LEU 50 2HB LEU 50 12.870 -3.478 2.690 371 HG LEU 50 HG LEU 50 13.306 -5.563 4.847 372 HD11 LEU 50 1HD1 LEU 50 10.639 -4.574 3.860 373 HD12 LEU 50 2HD1 LEU 50 11.038 -5.443 5.361 374 HD13 LEU 50 3HD1 LEU 50 11.511 -3.738 5.166 375 HD21 LEU 50 1HD2 LEU 50 13.194 -7.051 3.197 376 HD22 LEU 50 2HD2 LEU 50 11.494 -6.564 2.994 377 HD23 LEU 50 3HD2 LEU 50 12.761 -5.808 1.998 378 H ILE 51 H ILE 51 14.724 -3.448 0.431 379 HA ILE 51 HA ILE 51 16.659 -1.293 0.885 380 HB ILE 51 HB ILE 51 15.967 -3.020 -1.452 381 HG12 ILE 51 1HG1 ILE 51 18.551 -2.082 -0.175 382 HG13 ILE 51 2HG1 ILE 51 17.837 -3.678 -0.059 383 HG21 ILE 51 1HG2 ILE 51 17.417 -1.353 -2.807 384 HG22 ILE 51 2HG2 ILE 51 15.688 -1.005 -2.567 385 HG23 ILE 51 3HG2 ILE 51 16.909 -0.167 -1.581 386 HD11 ILE 51 1HD1 ILE 51 19.103 -2.349 -2.472 387 HD12 ILE 51 2HD1 ILE 51 19.462 -3.939 -1.756 388 HD13 ILE 51 3HD1 ILE 51 17.959 -3.697 -2.678 389 H ARG 52 H ARG 52 13.538 -2.084 -0.786 390 HA ARG 52 HA ARG 52 12.548 0.452 0.008 391 HB2 ARG 52 1HB ARG 52 12.176 1.412 -2.174 392 HB3 ARG 52 2HB ARG 52 13.855 0.910 -2.156 393 HG2 ARG 52 1HG ARG 52 13.234 -1.216 -3.322 394 HG3 ARG 52 2HG ARG 52 11.554 -0.717 -3.339 395 HD2 ARG 52 1HD ARG 52 12.260 -0.027 -5.471 396 HD3 ARG 52 2HD ARG 52 12.459 1.451 -4.552 397 HE ARG 52 HE ARG 52 14.807 1.225 -4.691 398 HH11 ARG 52 2HH2 ARG 52 13.227 -1.698 -5.852 399 HH12 ARG 52 1HH2 ARG 52 14.676 -2.366 -6.527 400 HH21 ARG 52 2HH1 ARG 52 16.718 0.343 -5.581 401 HH22 ARG 52 1HH1 ARG 52 16.675 -1.197 -6.371 402 H TYR 53 H TYR 53 10.217 0.696 -1.332 403 HA TYR 53 HA TYR 53 9.048 -1.992 -1.478 404 HB2 TYR 53 1HB TYR 53 8.558 0.360 0.324 405 HB3 TYR 53 2HB TYR 53 7.093 -0.262 -0.410 406 HD1 TYR 53 2HD TYR 53 6.425 -2.660 -0.014 407 HD2 TYR 53 1HD TYR 53 9.649 -0.809 2.104 408 HE1 TYR 53 2HE TYR 53 6.323 -4.485 1.754 409 HE2 TYR 53 1HE TYR 53 9.536 -2.640 3.864 410 HH TYR 53 HH TYR 53 6.915 -4.805 4.044 411 H ILE 54 H ILE 54 7.543 -2.277 -3.107 412 HA ILE 54 HA ILE 54 6.983 0.127 -4.701 413 HB ILE 54 HB ILE 54 7.036 -2.715 -5.699 414 HG12 ILE 54 1HG1 ILE 54 9.299 -0.702 -5.838 415 HG13 ILE 54 2HG1 ILE 54 9.249 -2.066 -4.738 416 HG21 ILE 54 1HG2 ILE 54 7.551 -0.343 -7.423 417 HG22 ILE 54 2HG2 ILE 54 6.723 -1.876 -7.786 418 HG23 ILE 54 3HG2 ILE 54 5.883 -0.609 -6.861 419 HD11 ILE 54 1HD1 ILE 54 10.159 -3.336 -6.376 420 HD12 ILE 54 2HD1 ILE 54 8.642 -3.155 -7.289 421 HD13 ILE 54 3HD1 ILE 54 9.982 -2.014 -7.555 422 H LEU 55 H LEU 55 5.021 0.838 -3.959 423 HA LEU 55 HA LEU 55 2.981 -1.135 -3.370 424 HB2 LEU 55 1HB LEU 55 3.202 0.583 -1.770 425 HB3 LEU 55 2HB LEU 55 3.224 1.840 -2.990 426 HG LEU 55 HG LEU 55 0.770 0.733 -3.451 427 HD11 LEU 55 1HD1 LEU 55 1.368 0.405 -0.506 428 HD12 LEU 55 2HD1 LEU 55 -0.282 0.542 -1.159 429 HD13 LEU 55 3HD1 LEU 55 0.762 -0.811 -1.656 430 HD21 LEU 55 1HD2 LEU 55 1.766 3.079 -1.909 431 HD22 LEU 55 2HD2 LEU 55 0.752 3.005 -3.369 432 HD23 LEU 55 3HD2 LEU 55 0.039 2.670 -1.773 433 H GLU 56 H GLU 56 1.665 -1.898 -4.926 434 HA GLU 56 HA GLU 56 1.342 -0.211 -7.274 435 HB2 GLU 56 1HB GLU 56 1.565 -3.135 -6.828 436 HB3 GLU 56 2HB GLU 56 0.302 -2.687 -7.958 437 HG2 GLU 56 1HG GLU 56 2.342 -2.990 -9.235 438 HG3 GLU 56 2HG GLU 56 1.987 -1.273 -9.213 439 H MET 57 H MET 57 -0.564 0.874 -7.475 440 HA MET 57 HA MET 57 -2.789 -0.122 -5.894 441 HB2 MET 57 1HB MET 57 -2.155 2.225 -5.489 442 HB3 MET 57 2HB MET 57 -2.161 2.577 -7.206 443 HG2 MET 57 1HG MET 57 -4.647 2.024 -7.247 444 HG3 MET 57 2HG MET 57 -4.595 1.852 -5.504 445 HE1 MET 57 1HE MET 57 -4.935 4.943 -8.316 446 HE2 MET 57 2HE MET 57 -3.302 5.480 -7.855 447 HE3 MET 57 3HE MET 57 -3.566 3.810 -8.413 448 H SER 58 H SER 58 -4.846 -0.547 -6.816 449 HA SER 58 HA SER 58 -4.864 -0.458 -9.731 450 HB2 SER 58 1HB SER 58 -4.748 -2.752 -9.445 451 HB3 SER 58 2HB SER 58 -5.464 -2.704 -7.847 452 HG SER 58 HG SER 58 -6.932 -2.239 -10.302 453 H GLU 59 H GLU 59 -6.303 1.156 -10.257 454 HA GLU 59 HA GLU 59 -8.328 1.937 -8.485 455 HB2 GLU 59 1HB GLU 59 -7.059 3.091 -10.627 456 HB3 GLU 59 2HB GLU 59 -8.596 2.679 -11.362 457 HG2 GLU 59 1HG GLU 59 -9.811 4.120 -9.985 458 HG3 GLU 59 2HG GLU 59 -8.692 3.966 -8.645 459 H ASN 60 H ASN 60 -10.547 2.374 -10.313 460 HA ASN 60 HA ASN 60 -11.978 0.105 -9.864 461 HB2 ASN 60 1HB ASN 60 -12.272 2.545 -11.570 462 HB3 ASN 60 2HB ASN 60 -13.251 1.184 -12.079 463 HD21 ASN 60 1HD2 ASN 60 -13.038 3.822 -10.067 464 HD22 ASN 60 2HD2 ASN 60 -14.303 3.469 -8.938 465 H ASN 61 H ASN 61 -11.150 -1.887 -10.643 466 HA ASN 61 HA ASN 61 -10.595 -3.456 -12.030 467 HB2 ASN 61 1HB ASN 61 -12.689 -2.067 -13.335 468 HB3 ASN 61 2HB ASN 61 -11.474 -2.258 -14.583 469 HD21 ASN 61 1HD2 ASN 61 -12.190 -3.843 -15.814 470 HD22 ASN 61 2HD2 ASN 61 -12.627 -5.437 -15.297 471 H ALA 62 H ALA 62 -8.982 -0.783 -11.763 472 HA ALA 62 HA ALA 62 -7.619 -0.569 -14.283 473 HB1 ALA 62 1HB ALA 62 -6.146 0.774 -12.321 474 HB2 ALA 62 2HB ALA 62 -7.392 1.482 -13.376 475 HB3 ALA 62 3HB ALA 62 -7.829 0.891 -11.755 476 HA PRO 63 HA PRO 63 -4.551 -3.495 -13.419 477 HB2 PRO 63 1HB PRO 63 -2.547 -2.660 -15.080 478 HB3 PRO 63 2HB PRO 63 -3.923 -3.595 -15.632 479 HG2 PRO 63 1HG PRO 63 -3.373 -0.713 -15.998 480 HG3 PRO 63 2HG PRO 63 -4.488 -1.738 -16.879 481 HD2 PRO 63 1HD PRO 63 -5.153 0.169 -14.842 482 HD3 PRO 63 2HD PRO 63 -6.252 -0.938 -15.640 483 H TRP 64 H TRP 64 -2.850 -4.016 -12.077 484 HA TRP 64 HA TRP 64 -2.278 -2.306 -10.070 485 HB2 TRP 64 1HB TRP 64 -0.446 -4.396 -11.260 486 HB3 TRP 64 2HB TRP 64 -0.247 -3.657 -9.683 487 HD1 TRP 64 HD TRP 64 -1.627 -6.712 -11.101 488 HE1 TRP 64 1HE TRP 64 -3.355 -7.958 -9.544 489 HE3 TRP 64 3HE TRP 64 -2.413 -2.797 -7.953 490 HZ2 TRP 64 2HZ TRP 64 -4.823 -7.185 -7.222 491 HZ3 TRP 64 3HZ TRP 64 -4.009 -3.126 -6.066 492 HH2 TRP 64 HH TRP 64 -5.195 -5.228 -5.676 493 H THR 65 H THR 65 -1.574 -0.214 -10.214 494 HA THR 65 HA THR 65 0.519 0.352 -12.210 495 HB THR 65 HB THR 65 -1.946 1.434 -12.175 496 HG1 THR 65 1HG THR 65 -0.660 2.456 -13.658 497 HG21 THR 65 1HG2 THR 65 -2.001 3.550 -10.987 498 HG22 THR 65 2HG2 THR 65 -1.578 2.316 -9.776 499 HG23 THR 65 3HG2 THR 65 -0.311 3.365 -10.459 500 H VAL 66 H VAL 66 2.502 0.453 -11.378 501 HA VAL 66 HA VAL 66 3.034 0.572 -8.666 502 HB VAL 66 HB VAL 66 4.757 1.398 -11.012 503 HG11 VAL 66 1HG1 VAL 66 5.914 2.184 -9.144 504 HG12 VAL 66 2HG1 VAL 66 5.367 0.840 -8.113 505 HG13 VAL 66 3HG1 VAL 66 6.590 0.554 -9.375 506 HG21 VAL 66 1HG2 VAL 66 5.290 -1.221 -9.864 507 HG22 VAL 66 2HG2 VAL 66 3.619 -1.098 -10.463 508 HG23 VAL 66 3HG2 VAL 66 4.984 -0.758 -11.555 509 H LEU 67 H LEU 67 2.142 2.184 -7.423 510 HA LEU 67 HA LEU 67 2.096 4.880 -8.399 511 HB2 LEU 67 1HB LEU 67 0.871 3.322 -6.288 512 HB3 LEU 67 2HB LEU 67 1.475 4.846 -5.671 513 HG LEU 67 HG LEU 67 -0.477 4.478 -7.959 514 HD11 LEU 67 1HD1 LEU 67 -1.964 5.799 -6.338 515 HD12 LEU 67 2HD1 LEU 67 -1.662 4.081 -5.982 516 HD13 LEU 67 3HD1 LEU 67 -0.782 5.343 -5.087 517 HD21 LEU 67 1HD2 LEU 67 0.960 6.375 -8.431 518 HD22 LEU 67 2HD2 LEU 67 -0.666 6.935 -7.971 519 HD23 LEU 67 3HD2 LEU 67 0.673 7.032 -6.802 520 H LEU 68 H LEU 68 3.526 3.358 -5.420 521 HA LEU 68 HA LEU 68 5.633 5.391 -5.607 522 HB2 LEU 68 1HB LEU 68 3.939 4.593 -3.487 523 HB3 LEU 68 2HB LEU 68 5.548 4.030 -3.082 524 HG LEU 68 HG LEU 68 4.882 6.886 -3.845 525 HD11 LEU 68 1HD1 LEU 68 5.107 5.555 -1.142 526 HD12 LEU 68 2HD1 LEU 68 5.297 7.310 -1.374 527 HD13 LEU 68 3HD1 LEU 68 3.762 6.516 -1.802 528 HD21 LEU 68 1HD2 LEU 68 7.378 5.455 -3.516 529 HD22 LEU 68 2HD2 LEU 68 7.077 7.110 -4.098 530 HD23 LEU 68 3HD2 LEU 68 7.247 6.796 -2.354 531 H ALA 69 H ALA 69 7.422 4.621 -6.592 532 HA ALA 69 HA ALA 69 7.955 1.782 -6.506 533 HB1 ALA 69 1HB ALA 69 9.983 3.501 -7.738 534 HB2 ALA 69 2HB ALA 69 9.011 2.194 -8.456 535 HB3 ALA 69 3HB ALA 69 8.347 3.842 -8.352 536 H SER 70 H SER 70 9.533 4.886 -5.490 537 HA SER 70 HA SER 70 11.411 3.310 -3.959 538 HB2 SER 70 1HB SER 70 12.704 4.954 -4.891 539 HB3 SER 70 2HB SER 70 11.348 6.041 -5.115 540 HG SER 70 HG SER 70 11.464 6.619 -2.871 541 H VAL 71 H VAL 71 10.432 2.619 -2.053 542 HA VAL 71 HA VAL 71 9.227 4.742 -0.417 543 HB VAL 71 HB VAL 71 8.327 1.936 -0.988 544 HG11 VAL 71 1HG1 VAL 71 6.812 2.040 0.949 545 HG12 VAL 71 2HG1 VAL 71 8.519 2.059 1.451 546 HG13 VAL 71 3HG1 VAL 71 7.571 3.565 1.462 547 HG21 VAL 71 1HG2 VAL 71 6.792 4.544 -0.746 548 HG22 VAL 71 2HG2 VAL 71 7.398 3.857 -2.272 549 HG23 VAL 71 3HG2 VAL 71 6.169 2.981 -1.328 550 H ASP 72 H ASP 72 9.554 4.512 1.907 551 HA ASP 72 HA ASP 72 12.158 3.681 2.467 552 HB2 ASP 72 1HB ASP 72 9.965 5.053 3.805 553 HB3 ASP 72 2HB ASP 72 10.666 3.882 4.904 554 HA PRO 73 HA PRO 73 11.189 -0.484 3.507 555 HB2 PRO 73 1HB PRO 73 13.581 -1.238 4.592 556 HB3 PRO 73 2HB PRO 73 13.277 -1.212 2.866 557 HG2 PRO 73 1HG PRO 73 14.854 0.682 4.500 558 HG3 PRO 73 2HG PRO 73 14.883 0.440 2.764 559 HD2 PRO 73 1HD PRO 73 13.618 2.592 4.176 560 HD3 PRO 73 2HD PRO 73 13.550 2.287 2.452 561 H LYS 74 H LYS 74 12.347 1.761 5.864 562 HA LYS 74 HA LYS 74 11.532 0.033 8.026 563 HB2 LYS 74 1HB LYS 74 12.568 2.884 8.034 564 HB3 LYS 74 2HB LYS 74 12.312 1.885 9.450 565 HG2 LYS 74 1HG LYS 74 13.862 0.239 7.792 566 HG3 LYS 74 2HG LYS 74 14.526 1.833 7.493 567 HD2 LYS 74 1HD LYS 74 14.197 0.489 10.216 568 HD3 LYS 74 2HD LYS 74 15.708 0.785 9.379 569 HE2 LYS 74 1HE LYS 74 14.059 3.229 9.732 570 HE3 LYS 74 2HE LYS 74 14.543 2.492 11.246 571 HZ1 LYS 74 1HZ LYS 74 16.632 2.632 9.303 572 HZ2 LYS 74 2HZ LYS 74 16.084 4.093 9.785 573 HZ3 LYS 74 3HZ LYS 74 16.654 3.030 10.886 574 H ALA 75 H ALA 75 9.785 1.527 5.755 575 HA ALA 75 HA ALA 75 7.854 2.669 7.646 576 HB1 ALA 75 1HB ALA 75 8.830 3.996 5.647 577 HB2 ALA 75 2HB ALA 75 7.815 2.946 4.630 578 HB3 ALA 75 3HB ALA 75 7.063 3.994 5.856 579 H THR 76 H THR 76 6.000 1.568 8.076 580 HA THR 76 HA THR 76 5.426 -0.747 6.349 581 HB THR 76 HB THR 76 4.139 -1.408 8.561 582 HG1 THR 76 1HG THR 76 4.482 0.818 9.417 583 HG21 THR 76 1HG2 THR 76 6.874 -1.771 7.747 584 HG22 THR 76 2HG2 THR 76 6.889 -1.390 9.486 585 HG23 THR 76 3HG2 THR 76 5.941 -2.771 8.886 586 H SER 77 H SER 77 4.546 2.422 6.761 587 HA SER 77 HA SER 77 1.921 1.789 5.723 588 HB2 SER 77 1HB SER 77 1.268 2.235 7.944 589 HB3 SER 77 2HB SER 77 2.510 3.449 8.178 590 HG SER 77 HG SER 77 0.082 3.686 6.626 591 H VAL 78 H VAL 78 0.900 3.852 4.709 592 HA VAL 78 HA VAL 78 2.711 5.988 4.125 593 HB VAL 78 HB VAL 78 3.371 4.019 2.629 594 HG11 VAL 78 1HG1 VAL 78 1.559 4.550 0.513 595 HG12 VAL 78 2HG1 VAL 78 1.788 3.030 1.410 596 HG13 VAL 78 3HG1 VAL 78 0.580 4.215 1.961 597 HG21 VAL 78 1HG2 VAL 78 3.440 6.757 2.271 598 HG22 VAL 78 2HG2 VAL 78 4.300 5.554 1.279 599 HG23 VAL 78 3HG2 VAL 78 2.720 6.178 0.750 600 H THR 79 H THR 79 1.613 7.742 2.965 601 HA THR 79 HA THR 79 -1.316 7.421 3.065 602 HB THR 79 HB THR 79 0.460 9.830 3.725 603 HG1 THR 79 1HG THR 79 -0.085 9.172 5.827 604 HG21 THR 79 1HG2 THR 79 -1.992 10.177 2.718 605 HG22 THR 79 2HG2 THR 79 -2.503 9.598 4.322 606 HG23 THR 79 3HG2 THR 79 -1.501 11.063 4.182 607 H VAL 80 H VAL 80 -2.075 7.183 1.054 608 HA VAL 80 HA VAL 80 -0.652 8.337 -1.153 609 HB VAL 80 HB VAL 80 -3.283 6.854 -0.971 610 HG11 VAL 80 1HG1 VAL 80 -2.218 8.356 -3.116 611 HG12 VAL 80 2HG1 VAL 80 -1.952 6.643 -3.522 612 HG13 VAL 80 3HG1 VAL 80 -3.592 7.225 -3.148 613 HG21 VAL 80 1HG2 VAL 80 -0.570 5.960 -0.721 614 HG22 VAL 80 2HG2 VAL 80 -2.071 5.003 -0.702 615 HG23 VAL 80 3HG2 VAL 80 -1.243 5.330 -2.244 616 H LYS 81 H LYS 81 -1.375 10.026 -2.527 617 HA LYS 81 HA LYS 81 -3.692 11.519 -1.550 618 HB2 LYS 81 1HB LYS 81 -1.031 12.820 -2.194 619 HB3 LYS 81 2HB LYS 81 -2.489 13.614 -1.632 620 HG2 LYS 81 1HG LYS 81 -2.345 12.605 0.540 621 HG3 LYS 81 2HG LYS 81 -1.205 11.390 -0.003 622 HD2 LYS 81 1HD LYS 81 -0.080 14.002 -0.552 623 HD3 LYS 81 2HD LYS 81 -0.638 13.981 1.109 624 HE2 LYS 81 1HE LYS 81 1.346 12.950 1.574 625 HE3 LYS 81 2HE LYS 81 0.589 11.506 0.933 626 HZ1 LYS 81 1HZ LYS 81 2.423 13.331 -0.404 627 HZ2 LYS 81 2HZ LYS 81 2.482 11.702 -0.307 628 HZ3 LYS 81 3HZ LYS 81 1.401 12.423 -1.296 629 H GLY 82 H GLY 82 -4.327 13.253 -3.242 630 HA2 GLY 82 1HA GLY 82 -4.976 13.734 -5.338 631 HA3 GLY 82 2HA GLY 82 -3.451 13.075 -5.895 632 H LEU 83 H LEU 83 -6.673 11.977 -4.618 633 HA LEU 83 HA LEU 83 -6.518 9.786 -6.570 634 HB2 LEU 83 1HB LEU 83 -7.659 9.810 -3.777 635 HB3 LEU 83 2HB LEU 83 -8.006 8.555 -4.950 636 HG LEU 83 HG LEU 83 -5.286 9.248 -3.809 637 HD11 LEU 83 1HD1 LEU 83 -6.434 6.541 -3.487 638 HD12 LEU 83 2HD1 LEU 83 -5.505 7.547 -2.350 639 HD13 LEU 83 3HD1 LEU 83 -7.244 7.842 -2.583 640 HD21 LEU 83 1HD2 LEU 83 -4.635 7.080 -5.032 641 HD22 LEU 83 2HD2 LEU 83 -6.095 7.358 -6.011 642 HD23 LEU 83 3HD2 LEU 83 -4.794 8.573 -5.988 643 H VAL 84 H VAL 84 -8.828 8.966 -7.140 644 HA VAL 84 HA VAL 84 -10.371 11.356 -7.780 645 HB VAL 84 HB VAL 84 -10.190 8.562 -8.877 646 HG11 VAL 84 1HG1 VAL 84 -12.014 9.573 -10.531 647 HG12 VAL 84 2HG1 VAL 84 -12.473 8.699 -9.049 648 HG13 VAL 84 3HG1 VAL 84 -12.479 10.479 -9.071 649 HG21 VAL 84 1HG2 VAL 84 -9.889 11.319 -10.115 650 HG22 VAL 84 2HG2 VAL 84 -8.577 10.184 -9.716 651 HG23 VAL 84 3HG2 VAL 84 -9.751 9.775 -10.989 652 HA PRO 85 HA PRO 85 -13.255 10.241 -4.728 653 HB2 PRO 85 1HB PRO 85 -15.131 12.163 -5.235 654 HB3 PRO 85 2HB PRO 85 -13.708 12.448 -4.253 655 HG2 PRO 85 1HG PRO 85 -14.254 13.325 -7.022 656 HG3 PRO 85 2HG PRO 85 -13.064 13.938 -5.891 657 HD2 PRO 85 1HD PRO 85 -12.578 12.200 -8.121 658 HD3 PRO 85 2HD PRO 85 -11.409 12.719 -6.923 659 H ALA 86 H ALA 86 -15.138 9.055 -4.378 660 HA ALA 86 HA ALA 86 -16.781 7.700 -4.976 661 HB1 ALA 86 1HB ALA 86 -17.632 8.553 -7.526 662 HB2 ALA 86 2HB ALA 86 -18.321 9.017 -5.951 663 HB3 ALA 86 3HB ALA 86 -17.061 10.025 -6.703 664 H ARG 87 H ARG 87 -14.347 6.617 -5.300 665 HA ARG 87 HA ARG 87 -14.806 4.904 -7.521 666 HB2 ARG 87 1HB ARG 87 -12.562 6.915 -7.500 667 HB3 ARG 87 2HB ARG 87 -12.174 5.309 -8.083 668 HG2 ARG 87 1HG ARG 87 -14.327 5.549 -9.565 669 HG3 ARG 87 2HG ARG 87 -14.227 7.258 -9.190 670 HD2 ARG 87 1HD ARG 87 -11.741 7.105 -9.982 671 HD3 ARG 87 2HD ARG 87 -12.180 5.550 -10.662 672 HE ARG 87 HE ARG 87 -12.913 8.156 -11.709 673 HH11 ARG 87 2HH2 ARG 87 -14.022 4.827 -11.443 674 HH12 ARG 87 1HH2 ARG 87 -15.018 4.911 -12.858 675 HH21 ARG 87 2HH1 ARG 87 -14.226 8.267 -13.576 676 HH22 ARG 87 1HH1 ARG 87 -15.135 6.881 -14.079 677 H SER 88 H SER 88 -13.730 2.853 -7.234 678 HA SER 88 HA SER 88 -12.894 2.429 -4.548 679 HB2 SER 88 1HB SER 88 -13.205 0.599 -6.961 680 HB3 SER 88 2HB SER 88 -12.622 0.015 -5.416 681 HG SER 88 HG SER 88 -14.635 0.841 -4.451 682 H TYR 89 H TYR 89 -10.811 1.373 -3.953 683 HA TYR 89 HA TYR 89 -8.705 1.600 -5.953 684 HB2 TYR 89 1HB TYR 89 -9.074 3.108 -3.315 685 HB3 TYR 89 2HB TYR 89 -7.448 2.761 -3.869 686 HD1 TYR 89 2HD TYR 89 -7.085 3.401 -6.494 687 HD2 TYR 89 1HD TYR 89 -9.932 5.191 -3.848 688 HE1 TYR 89 2HE TYR 89 -7.146 5.481 -7.955 689 HE2 TYR 89 1HE TYR 89 -9.983 7.265 -5.318 690 HH TYR 89 HH TYR 89 -8.332 7.324 -8.408 691 H GLN 90 H GLN 90 -7.039 0.117 -5.656 692 HA GLN 90 HA GLN 90 -7.217 -1.438 -3.197 693 HB2 GLN 90 1HB GLN 90 -7.267 -2.359 -6.052 694 HB3 GLN 90 2HB GLN 90 -6.344 -3.334 -4.927 695 HG2 GLN 90 1HG GLN 90 -8.374 -3.411 -3.407 696 HG3 GLN 90 2HG GLN 90 -9.282 -2.550 -4.634 697 HE21 GLN 90 1HE2 GLN 90 -9.954 -5.072 -3.653 698 HE22 GLN 90 2HE2 GLN 90 -9.829 -6.248 -4.918 699 H PHE 91 H PHE 91 -5.286 -1.649 -2.119 700 HA PHE 91 HA PHE 91 -2.898 -0.820 -3.609 701 HB2 PHE 91 1HB PHE 91 -3.827 -0.682 -0.689 702 HB3 PHE 91 2HB PHE 91 -2.138 -0.455 -1.097 703 HD1 PHE 91 1HD PHE 91 -1.677 1.370 -2.946 704 HD2 PHE 91 2HD PHE 91 -5.209 1.170 -0.602 705 HE1 PHE 91 1HE PHE 91 -2.113 3.801 -3.395 706 HE2 PHE 91 2HE PHE 91 -5.645 3.601 -1.051 707 HZ PHE 91 HZ PHE 91 -4.092 4.887 -2.442 708 H ARG 92 H ARG 92 -0.884 -1.955 -3.186 709 HA ARG 92 HA ARG 92 -0.806 -4.162 -1.501 710 HB2 ARG 92 1HB ARG 92 -0.523 -5.901 -3.416 711 HB3 ARG 92 2HB ARG 92 -2.159 -5.415 -3.015 712 HG2 ARG 92 1HG ARG 92 -2.422 -4.153 -4.969 713 HG3 ARG 92 2HG ARG 92 -0.711 -3.800 -5.106 714 HD2 ARG 92 1HD ARG 92 -0.928 -6.638 -5.328 715 HD3 ARG 92 2HD ARG 92 -2.231 -5.988 -6.303 716 HE ARG 92 HE ARG 92 -0.087 -4.413 -7.041 717 HH11 ARG 92 2HH2 ARG 92 -0.573 -7.893 -6.865 718 HH12 ARG 92 1HH2 ARG 92 0.535 -8.241 -8.150 719 HH21 ARG 92 2HH1 ARG 92 1.375 -4.871 -8.736 720 HH22 ARG 92 1HH1 ARG 92 1.650 -6.511 -9.221 721 H LEU 93 H LEU 93 1.294 -3.673 -0.879 722 HA LEU 93 HA LEU 93 3.220 -3.138 -3.023 723 HB2 LEU 93 1HB LEU 93 4.562 -2.049 -1.352 724 HB3 LEU 93 2HB LEU 93 2.950 -1.362 -1.392 725 HG LEU 93 HG LEU 93 3.577 -3.499 0.620 726 HD11 LEU 93 1HD1 LEU 93 3.978 -0.837 1.704 727 HD12 LEU 93 2HD1 LEU 93 4.997 -2.291 1.830 728 HD13 LEU 93 3HD1 LEU 93 5.159 -1.210 0.426 729 HD21 LEU 93 1HD2 LEU 93 1.557 -2.991 1.379 730 HD22 LEU 93 2HD2 LEU 93 2.022 -1.285 1.581 731 HD23 LEU 93 3HD2 LEU 93 1.360 -1.849 0.028 732 H CYS 94 H CYS 94 5.482 -4.027 -2.607 733 HA CYS 94 HA CYS 94 5.259 -6.641 -1.304 734 HB2 CYS 94 1HB CYS 94 6.615 -7.639 -3.058 735 HB3 CYS 94 2HB CYS 94 5.169 -6.928 -3.748 736 HG CYS 94 HG CYS 94 6.733 -6.185 -5.484 737 H ALA 95 H ALA 95 7.728 -7.512 -1.064 738 HA ALA 95 HA ALA 95 9.198 -5.261 0.112 739 HB1 ALA 95 1HB ALA 95 8.690 -6.813 1.811 740 HB2 ALA 95 2HB ALA 95 8.974 -8.212 0.748 741 HB3 ALA 95 3HB ALA 95 10.349 -7.247 1.335 742 H VAL 96 H VAL 96 11.005 -4.581 -0.919 743 HA VAL 96 HA VAL 96 12.321 -6.528 -2.685 744 HB VAL 96 HB VAL 96 12.134 -3.544 -3.112 745 HG11 VAL 96 1HG1 VAL 96 13.783 -3.956 -4.567 746 HG12 VAL 96 2HG1 VAL 96 13.609 -5.718 -4.380 747 HG13 VAL 96 3HG1 VAL 96 12.582 -4.840 -5.539 748 HG21 VAL 96 1HG2 VAL 96 10.643 -5.332 -4.936 749 HG22 VAL 96 2HG2 VAL 96 9.981 -5.207 -3.289 750 HG23 VAL 96 3HG2 VAL 96 10.205 -3.740 -4.271 751 H ASN 97 H ASN 97 14.481 -6.848 -2.335 752 HA ASN 97 HA ASN 97 15.830 -4.850 -0.722 753 HB2 ASN 97 1HB ASN 97 17.006 -6.923 0.410 754 HB3 ASN 97 2HB ASN 97 15.417 -6.451 0.979 755 HD21 ASN 97 1HD2 ASN 97 16.388 -8.972 1.380 756 HD22 ASN 97 2HD2 ASN 97 15.499 -10.135 0.454 757 H ASP 98 H ASP 98 18.365 -5.942 -0.579 758 HA ASP 98 HA ASP 98 19.469 -5.520 -2.967 759 HB2 ASP 98 1HB ASP 98 20.804 -5.761 -0.941 760 HB3 ASP 98 2HB ASP 98 20.332 -7.439 -0.761 761 H VAL 99 H VAL 99 18.815 -8.809 -1.516 762 HA VAL 99 HA VAL 99 19.540 -10.421 -3.531 763 HB VAL 99 HB VAL 99 18.149 -12.037 -2.604 764 HG11 VAL 99 1HG1 VAL 99 18.128 -10.287 -0.188 765 HG12 VAL 99 2HG1 VAL 99 18.730 -11.949 -0.398 766 HG13 VAL 99 3HG1 VAL 99 19.697 -10.572 -0.979 767 HG21 VAL 99 1HG2 VAL 99 15.995 -10.967 -3.023 768 HG22 VAL 99 2HG2 VAL 99 16.079 -11.557 -1.346 769 HG23 VAL 99 3HG2 VAL 99 16.281 -9.822 -1.690 770 H GLY 100 H GLY 100 16.361 -8.699 -3.263 771 HA2 GLY 100 1HA GLY 100 16.028 -7.901 -5.802 772 HA3 GLY 100 2HA GLY 100 15.586 -9.593 -5.911 773 H LYS 101 H LYS 101 13.356 -9.280 -6.284 774 HA LYS 101 HA LYS 101 11.924 -8.003 -4.059 775 HB2 LYS 101 1HB LYS 101 11.581 -6.697 -6.017 776 HB3 LYS 101 2HB LYS 101 11.313 -8.110 -7.018 777 HG2 LYS 101 1HG LYS 101 9.308 -8.610 -5.386 778 HG3 LYS 101 2HG LYS 101 9.484 -6.937 -4.896 779 HD2 LYS 101 1HD LYS 101 9.107 -7.840 -7.790 780 HD3 LYS 101 2HD LYS 101 7.804 -7.288 -6.757 781 HE2 LYS 101 1HE LYS 101 8.612 -5.060 -6.692 782 HE3 LYS 101 2HE LYS 101 10.248 -5.532 -7.109 783 HZ1 LYS 101 1HZ LYS 101 8.788 -4.503 -8.890 784 HZ2 LYS 101 2HZ LYS 101 9.666 -5.818 -9.301 785 HZ3 LYS 101 3HZ LYS 101 8.067 -5.964 -9.001 786 H GLY 102 H GLY 102 10.062 -9.068 -3.219 787 HA2 GLY 102 1HA GLY 102 10.121 -11.966 -3.688 788 HA3 GLY 102 2HA GLY 102 9.461 -11.134 -2.294 789 H GLN 103 H GLN 103 7.269 -10.827 -2.197 790 HA GLN 103 HA GLN 103 5.856 -10.796 -4.737 791 HB2 GLN 103 1HB GLN 103 4.048 -12.213 -3.630 792 HB3 GLN 103 2HB GLN 103 5.539 -13.055 -4.004 793 HG2 GLN 103 1HG GLN 103 6.140 -13.293 -1.775 794 HG3 GLN 103 2HG GLN 103 5.409 -11.773 -1.298 795 HE21 GLN 103 1HE2 GLN 103 5.151 -14.208 0.077 796 HE22 GLN 103 2HE2 GLN 103 3.491 -14.702 0.071 797 H PHE 104 H PHE 104 3.505 -9.977 -4.413 798 HA PHE 104 HA PHE 104 3.667 -7.719 -2.587 799 HB2 PHE 104 1HB PHE 104 1.793 -8.565 -4.877 800 HB3 PHE 104 2HB PHE 104 1.601 -7.063 -3.996 801 HD1 PHE 104 1HD PHE 104 4.284 -8.908 -5.834 802 HD2 PHE 104 2HD PHE 104 2.487 -5.167 -4.951 803 HE1 PHE 104 1HE PHE 104 5.864 -7.775 -7.421 804 HE2 PHE 104 2HE PHE 104 4.067 -4.034 -6.539 805 HZ PHE 104 HZ PHE 104 5.736 -5.351 -7.755 806 H SER 105 H SER 105 1.488 -7.042 -1.548 807 HA SER 105 HA SER 105 0.548 -9.366 -0.149 808 HB2 SER 105 1HB SER 105 -0.799 -7.408 1.068 809 HB3 SER 105 2HB SER 105 0.897 -7.690 1.407 810 HG SER 105 HG SER 105 -0.326 -5.500 0.218 811 H LYS 106 H LYS 106 -1.893 -9.563 0.293 812 HA LYS 106 HA LYS 106 -3.250 -9.706 -2.154 813 HB2 LYS 106 1HB LYS 106 -3.956 -10.138 0.729 814 HB3 LYS 106 2HB LYS 106 -5.245 -10.059 -0.455 815 HG2 LYS 106 1HG LYS 106 -2.810 -11.872 -0.770 816 HG3 LYS 106 2HG LYS 106 -4.298 -12.397 -0.008 817 HD2 LYS 106 1HD LYS 106 -5.483 -11.584 -2.193 818 HD3 LYS 106 2HD LYS 106 -3.879 -11.545 -2.898 819 HE2 LYS 106 1HE LYS 106 -3.585 -13.977 -2.158 820 HE3 LYS 106 2HE LYS 106 -5.273 -13.976 -1.684 821 HZ1 LYS 106 1HZ LYS 106 -5.910 -14.073 -3.794 822 HZ2 LYS 106 2HZ LYS 106 -4.815 -12.982 -4.321 823 HZ3 LYS 106 3HZ LYS 106 -4.383 -14.545 -4.129 824 H ASP 107 H ASP 107 -5.300 -8.598 -2.737 825 HA ASP 107 HA ASP 107 -4.940 -5.881 -2.769 826 HB2 ASP 107 1HB ASP 107 -7.391 -5.843 -3.505 827 HB3 ASP 107 2HB ASP 107 -6.336 -6.886 -4.438 828 H THR 108 H THR 108 -5.026 -4.555 -0.943 829 HA THR 108 HA THR 108 -6.172 -5.229 1.474 830 HB THR 108 HB THR 108 -5.927 -2.743 1.901 831 HG1 THR 108 1HG THR 108 -6.599 -2.095 -0.265 832 HG21 THR 108 1HG2 THR 108 -3.754 -3.493 2.177 833 HG22 THR 108 2HG2 THR 108 -3.794 -4.442 0.672 834 HG23 THR 108 3HG2 THR 108 -3.490 -2.690 0.611 835 H GLU 109 H GLU 109 -8.047 -4.384 2.618 836 HA GLU 109 HA GLU 109 -10.363 -5.006 1.505 837 HB2 GLU 109 1HB GLU 109 -9.511 -3.626 3.852 838 HB3 GLU 109 2HB GLU 109 -10.817 -2.672 3.178 839 HG2 GLU 109 1HG GLU 109 -12.177 -4.836 2.990 840 HG3 GLU 109 2HG GLU 109 -10.904 -5.639 3.886 841 H ARG 110 H ARG 110 -11.314 -4.382 -0.383 842 HA ARG 110 HA ARG 110 -10.671 -2.423 -1.980 843 HB2 ARG 110 1HB ARG 110 -12.672 -4.193 -2.024 844 HB3 ARG 110 2HB ARG 110 -13.641 -2.825 -1.516 845 HG2 ARG 110 1HG ARG 110 -12.123 -1.744 -3.597 846 HG3 ARG 110 2HG ARG 110 -12.407 -3.382 -4.151 847 HD2 ARG 110 1HD ARG 110 -14.879 -2.373 -3.031 848 HD3 ARG 110 2HD ARG 110 -14.251 -1.167 -4.136 849 HE ARG 110 HE ARG 110 -14.670 -2.616 -5.928 850 HH11 ARG 110 2HH2 ARG 110 -14.728 -4.446 -2.923 851 HH12 ARG 110 1HH2 ARG 110 -15.299 -5.900 -3.670 852 HH21 ARG 110 2HH1 ARG 110 -15.423 -4.535 -6.915 853 HH22 ARG 110 1HH1 ARG 110 -15.697 -5.951 -5.956 854 H VAL 111 H VAL 111 -10.066 -0.377 -1.195 855 HA VAL 111 HA VAL 111 -11.912 1.011 0.566 856 HB VAL 111 HB VAL 111 -9.331 0.823 0.769 857 HG11 VAL 111 1HG1 VAL 111 -9.170 1.747 -1.690 858 HG12 VAL 111 2HG1 VAL 111 -9.308 3.329 -0.887 859 HG13 VAL 111 3HG1 VAL 111 -7.974 2.230 -0.464 860 HG21 VAL 111 1HG2 VAL 111 -10.909 2.236 2.145 861 HG22 VAL 111 2HG2 VAL 111 -9.253 2.872 1.999 862 HG23 VAL 111 3HG2 VAL 111 -10.567 3.579 1.029 863 H SER 112 H SER 112 -13.216 2.699 -0.050 864 HA SER 112 HA SER 112 -12.955 3.479 -2.849 865 HB2 SER 112 1HB SER 112 -15.011 2.306 -2.710 866 HB3 SER 112 2HB SER 112 -15.393 2.961 -1.130 867 HG SER 112 HG SER 112 -16.463 3.853 -3.243 868 H LEU 113 H LEU 113 -13.108 5.727 -3.340 869 HA LEU 113 HA LEU 113 -12.660 7.436 -1.043 870 HB2 LEU 113 1HB LEU 113 -11.637 7.284 -3.633 871 HB3 LEU 113 2HB LEU 113 -12.647 8.717 -3.648 872 HG LEU 113 HG LEU 113 -11.199 8.949 -1.273 873 HD11 LEU 113 1HD1 LEU 113 -9.265 8.142 -3.453 874 HD12 LEU 113 2HD1 LEU 113 -8.905 8.568 -1.763 875 HD13 LEU 113 3HD1 LEU 113 -9.774 7.060 -2.135 876 HD21 LEU 113 1HD2 LEU 113 -9.845 10.467 -3.203 877 HD22 LEU 113 2HD2 LEU 113 -11.519 10.328 -3.793 878 HD23 LEU 113 3HD2 LEU 113 -11.199 10.980 -2.168 879 HA PRO 114 HA PRO 114 -16.594 9.205 -1.111 880 HB2 PRO 114 1HB PRO 114 -16.126 11.752 -0.238 881 HB3 PRO 114 2HB PRO 114 -16.203 10.370 0.836 882 HG2 PRO 114 1HG PRO 114 -13.828 11.866 -0.090 883 HG3 PRO 114 2HG PRO 114 -13.978 10.784 1.281 884 HD2 PRO 114 1HD PRO 114 -12.746 10.198 -1.242 885 HD3 PRO 114 2HD PRO 114 -12.999 9.082 0.085 886 H GLU 115 H GLU 115 -18.157 10.242 -2.327 887 HA GLU 115 HA GLU 115 -17.366 10.808 -4.894 888 HB2 GLU 115 1HB GLU 115 -19.728 10.295 -3.828 889 HB3 GLU 115 2HB GLU 115 -19.858 12.037 -3.692 890 HG2 GLU 115 1HG GLU 115 -18.987 10.858 -6.336 891 HG3 GLU 115 2HG GLU 115 -20.680 10.760 -5.895 892 H SER 116 H SER 116 -17.819 12.943 -2.042 893 HA SER 116 HA SER 116 -17.294 15.012 -1.657 894 HB2 SER 116 1HB SER 116 -15.069 14.033 -2.759 895 HB3 SER 116 2HB SER 116 -15.447 15.168 -4.040 896 HG SER 116 HG SER 116 -15.456 16.042 -1.301 897 H GLY 117 H GLY 117 -17.630 17.293 -2.384 898 HA2 GLY 117 1HA GLY 117 -18.109 18.545 -4.550 899 HA3 GLY 117 2HA GLY 117 -19.401 17.377 -4.742 900 HA PRO 118 HA PRO 118 -20.523 20.835 -1.755 901 HB2 PRO 118 1HB PRO 118 -21.135 22.989 -3.321 902 HB3 PRO 118 2HB PRO 118 -19.606 22.817 -2.484 903 HG2 PRO 118 1HG PRO 118 -20.193 22.469 -5.360 904 HG3 PRO 118 2HG PRO 118 -18.645 22.721 -4.578 905 HD2 PRO 118 1HD PRO 118 -19.672 20.243 -5.594 906 HD3 PRO 118 2HD PRO 118 -18.176 20.474 -4.710 907 H SER 119 H SER 119 -22.690 22.464 -2.099 908 HA SER 119 HA SER 119 -24.596 21.297 -3.743 909 HB2 SER 119 1HB SER 119 -24.115 19.661 -1.566 910 HB3 SER 119 2HB SER 119 -25.434 20.648 -0.965 911 HG SER 119 HG SER 119 -25.751 19.661 -3.600 912 H SER 120 H SER 120 -25.335 23.376 -4.193 913 HA SER 120 HA SER 120 -25.517 25.358 -2.252 914 HB2 SER 120 1HB SER 120 -26.673 26.658 -3.972 915 HB3 SER 120 2HB SER 120 -25.343 25.781 -4.702 916 HG SER 120 HG SER 120 -26.760 24.891 -6.022 917 H GLY 121 H GLY 121 -26.718 24.582 -0.433 918 HA2 GLY 121 1HA GLY 121 -29.097 25.156 0.214 919 HA3 GLY 121 2HA GLY 121 -29.552 23.938 -0.961 Start of MODEL 11 1 H1 GLY 1 H GLY 1 3.638 -39.355 -2.218 2 HA2 GLY 1 1HA GLY 1 5.244 -38.654 -0.166 3 HA3 GLY 1 2HA GLY 1 6.198 -39.876 -0.983 4 H SER 2 H SER 2 6.789 -39.564 -3.272 5 HA SER 2 HA SER 2 7.485 -38.401 -4.967 6 HB2 SER 2 1HB SER 2 5.071 -37.745 -5.203 7 HB3 SER 2 2HB SER 2 5.376 -36.326 -4.221 8 HG SER 2 HG SER 2 7.073 -36.722 -6.472 9 H SER 3 H SER 3 9.589 -37.890 -4.301 10 HA SER 3 HA SER 3 11.268 -36.704 -3.609 11 HB2 SER 3 1HB SER 3 10.085 -35.004 -5.172 12 HB3 SER 3 2HB SER 3 9.534 -34.208 -3.711 13 HG SER 3 HG SER 3 12.254 -34.607 -4.597 14 H GLY 4 H GLY 4 12.052 -35.059 -1.792 15 HA2 GLY 4 1HA GLY 4 11.049 -34.021 0.296 16 HA3 GLY 4 2HA GLY 4 10.431 -35.630 0.609 17 H SER 5 H SER 5 11.636 -36.108 2.471 18 HA SER 5 HA SER 5 13.339 -36.682 3.688 19 HB2 SER 5 1HB SER 5 13.826 -37.821 1.086 20 HB3 SER 5 2HB SER 5 15.375 -37.352 1.760 21 HG SER 5 HG SER 5 13.398 -38.945 3.159 22 H SER 6 H SER 6 13.975 -34.725 4.655 23 HA SER 6 HA SER 6 15.247 -33.033 5.130 24 HB2 SER 6 1HB SER 6 17.075 -34.780 4.601 25 HB3 SER 6 2HB SER 6 17.267 -33.973 3.057 26 HG SER 6 HG SER 6 18.470 -32.509 4.033 27 H GLY 7 H GLY 7 16.350 -30.950 4.145 28 HA2 GLY 7 1HA GLY 7 14.602 -30.010 2.041 29 HA3 GLY 7 2HA GLY 7 15.760 -29.082 2.974 30 H ARG 8 H ARG 8 17.121 -28.114 1.515 31 HA ARG 8 HA ARG 8 18.645 -29.900 -0.136 32 HB2 ARG 8 1HB ARG 8 16.851 -27.696 -1.207 33 HB3 ARG 8 2HB ARG 8 18.323 -28.100 -2.068 34 HG2 ARG 8 1HG ARG 8 17.025 -29.674 -3.106 35 HG3 ARG 8 2HG ARG 8 17.305 -30.618 -1.656 36 HD2 ARG 8 1HD ARG 8 15.041 -30.659 -1.399 37 HD3 ARG 8 2HD ARG 8 15.162 -28.981 -0.907 38 HE ARG 8 HE ARG 8 15.132 -29.056 -3.761 39 HH11 ARG 8 2HH2 ARG 8 12.990 -29.702 -1.045 40 HH12 ARG 8 1HH2 ARG 8 11.547 -29.339 -1.932 41 HH21 ARG 8 2HH1 ARG 8 13.229 -28.576 -4.931 42 HH22 ARG 8 1HH1 ARG 8 11.684 -28.694 -4.157 43 H SER 9 H SER 9 20.378 -29.294 1.335 44 HA SER 9 HA SER 9 21.927 -28.032 2.221 45 HB2 SER 9 1HB SER 9 21.921 -26.696 -0.523 46 HB3 SER 9 2HB SER 9 23.259 -26.704 0.609 47 HG SER 9 HG SER 9 22.167 -28.896 -0.902 48 H ALA 10 H ALA 10 20.513 -26.942 3.777 49 HA ALA 10 HA ALA 10 20.262 -24.091 3.165 50 HB1 ALA 10 1HB ALA 10 18.069 -25.420 2.868 51 HB2 ALA 10 2HB ALA 10 18.106 -25.633 4.635 52 HB3 ALA 10 3HB ALA 10 18.023 -23.998 3.937 53 H HIS 11 H HIS 11 22.111 -23.647 4.433 54 HA HIS 11 HA HIS 11 21.586 -23.848 7.272 55 HB2 HIS 11 1HB HIS 11 23.066 -25.826 6.241 56 HB3 HIS 11 2HB HIS 11 24.336 -24.630 6.411 57 HD1 HIS 11 1HD HIS 11 21.699 -26.396 8.543 58 HD2 HIS 11 2HD HIS 11 25.356 -24.383 8.958 59 HE1 HIS 11 1HE HIS 11 22.399 -26.680 10.980 60 H LEU 12 H LEU 12 22.929 -22.327 8.534 61 HA LEU 12 HA LEU 12 23.849 -20.350 8.875 62 HB2 LEU 12 1HB LEU 12 25.222 -21.209 6.370 63 HB3 LEU 12 2HB LEU 12 25.430 -19.553 6.907 64 HG LEU 12 HG LEU 12 25.858 -21.685 8.944 65 HD11 LEU 12 1HD1 LEU 12 27.919 -21.135 6.794 66 HD12 LEU 12 2HD1 LEU 12 28.082 -22.223 8.193 67 HD13 LEU 12 3HD1 LEU 12 26.921 -22.605 6.898 68 HD21 LEU 12 1HD2 LEU 12 26.266 -18.939 8.792 69 HD22 LEU 12 2HD2 LEU 12 26.885 -20.045 10.042 70 HD23 LEU 12 3HD2 LEU 12 27.898 -19.633 8.638 71 H ARG 13 H ARG 13 23.669 -18.028 8.322 72 HA ARG 13 HA ARG 13 21.184 -17.439 7.389 73 HB2 ARG 13 1HB ARG 13 23.711 -15.748 7.629 74 HB3 ARG 13 2HB ARG 13 22.185 -15.041 7.140 75 HG2 ARG 13 1HG ARG 13 21.390 -15.047 9.272 76 HG3 ARG 13 2HG ARG 13 21.820 -16.730 9.505 77 HD2 ARG 13 1HD ARG 13 23.903 -16.225 10.423 78 HD3 ARG 13 2HD ARG 13 24.094 -14.764 9.474 79 HE ARG 13 HE ARG 13 21.923 -14.624 11.452 80 HH11 ARG 13 2HH2 ARG 13 25.346 -14.072 10.848 81 HH12 ARG 13 1HH2 ARG 13 25.521 -12.933 12.142 82 HH21 ARG 13 2HH1 ARG 13 22.154 -13.122 13.158 83 HH22 ARG 13 1HH1 ARG 13 23.693 -12.389 13.465 84 H VAL 14 H VAL 14 20.416 -17.821 5.327 85 HA VAL 14 HA VAL 14 22.265 -17.313 3.106 86 HB VAL 14 HB VAL 14 21.284 -19.615 3.489 87 HG11 VAL 14 1HG1 VAL 14 18.973 -19.981 2.677 88 HG12 VAL 14 2HG1 VAL 14 19.027 -18.978 4.146 89 HG13 VAL 14 3HG1 VAL 14 18.751 -18.219 2.560 90 HG21 VAL 14 1HG2 VAL 14 20.295 -19.103 0.828 91 HG22 VAL 14 2HG2 VAL 14 21.769 -18.150 1.121 92 HG23 VAL 14 3HG2 VAL 14 21.793 -19.916 1.339 93 H ARG 15 H ARG 15 21.854 -15.660 1.707 94 HA ARG 15 HA ARG 15 19.740 -13.921 2.383 95 HB2 ARG 15 1HB ARG 15 22.051 -13.946 0.484 96 HB3 ARG 15 2HB ARG 15 20.690 -12.968 -0.029 97 HG2 ARG 15 1HG ARG 15 20.823 -11.544 1.867 98 HG3 ARG 15 2HG ARG 15 21.717 -12.719 2.812 99 HD2 ARG 15 1HD ARG 15 23.075 -11.844 0.299 100 HD3 ARG 15 2HD ARG 15 22.871 -10.585 1.500 101 HE ARG 15 HE ARG 15 23.899 -13.094 2.616 102 HH11 ARG 15 2HH2 ARG 15 24.765 -10.044 1.088 103 HH12 ARG 15 1HH2 ARG 15 26.380 -10.042 1.714 104 HH21 ARG 15 2HH1 ARG 15 26.030 -13.092 3.441 105 HH22 ARG 15 1HH1 ARG 15 27.105 -11.788 3.061 106 H GLN 16 H GLN 16 17.702 -14.865 1.951 107 HA GLN 16 HA GLN 16 17.321 -15.775 -0.790 108 HB2 GLN 16 1HB GLN 16 15.340 -16.997 0.085 109 HB3 GLN 16 2HB GLN 16 16.816 -17.482 0.896 110 HG2 GLN 16 1HG GLN 16 15.332 -15.201 2.149 111 HG3 GLN 16 2HG GLN 16 14.532 -16.758 2.218 112 HE21 GLN 16 1HE2 GLN 16 16.128 -18.626 2.734 113 HE22 GLN 16 2HE2 GLN 16 17.161 -18.380 4.103 114 H LEU 17 H LEU 17 14.961 -15.360 -1.623 115 HA LEU 17 HA LEU 17 14.583 -12.588 -1.682 116 HB2 LEU 17 1HB LEU 17 13.115 -14.987 -2.687 117 HB3 LEU 17 2HB LEU 17 12.301 -13.436 -2.703 118 HG LEU 17 HG LEU 17 14.892 -14.133 -4.108 119 HD11 LEU 17 1HD1 LEU 17 12.089 -13.585 -5.105 120 HD12 LEU 17 2HD1 LEU 17 13.528 -13.595 -6.154 121 HD13 LEU 17 3HD1 LEU 17 13.050 -15.073 -5.284 122 HD21 LEU 17 1HD2 LEU 17 13.513 -11.487 -3.706 123 HD22 LEU 17 2HD2 LEU 17 15.230 -11.910 -3.502 124 HD23 LEU 17 3HD2 LEU 17 14.529 -11.796 -5.134 125 HA PRO 18 HA PRO 18 12.134 -11.975 1.823 126 HB2 PRO 18 1HB PRO 18 11.014 -9.554 1.225 127 HB3 PRO 18 2HB PRO 18 12.637 -9.728 1.862 128 HG2 PRO 18 1HG PRO 18 11.786 -9.104 -0.900 129 HG3 PRO 18 2HG PRO 18 13.355 -8.867 -0.154 130 HD2 PRO 18 1HD PRO 18 12.622 -10.948 -1.987 131 HD3 PRO 18 2HD PRO 18 14.153 -10.778 -1.153 132 H HIS 19 H HIS 19 9.777 -11.104 2.469 133 HA HIS 19 HA HIS 19 8.021 -12.534 0.608 134 HB2 HIS 19 1HB HIS 19 8.420 -12.823 3.520 135 HB3 HIS 19 2HB HIS 19 6.743 -12.722 3.022 136 HD1 HIS 19 1HD HIS 19 5.809 -15.021 2.828 137 HD2 HIS 19 2HD HIS 19 9.765 -14.817 1.447 138 HE1 HIS 19 1HE HIS 19 6.395 -17.358 1.988 139 H ALA 20 H ALA 20 5.712 -11.774 0.673 140 HA ALA 20 HA ALA 20 5.635 -8.979 0.409 141 HB1 ALA 20 1HB ALA 20 3.608 -9.403 -0.537 142 HB2 ALA 20 2HB ALA 20 4.138 -11.100 -0.456 143 HB3 ALA 20 3HB ALA 20 3.081 -10.437 0.813 144 HA PRO 21 HA PRO 21 4.494 -7.684 4.374 145 HB2 PRO 21 1HB PRO 21 2.707 -5.665 3.930 146 HB3 PRO 21 2HB PRO 21 4.439 -5.466 3.761 147 HG2 PRO 21 1HG PRO 21 2.387 -5.709 1.648 148 HG3 PRO 21 2HG PRO 21 4.023 -5.095 1.523 149 HD2 PRO 21 1HD PRO 21 3.083 -7.663 0.657 150 HD3 PRO 21 2HD PRO 21 4.740 -7.093 0.638 151 H GLU 22 H GLU 22 3.039 -7.731 6.162 152 HA GLU 22 HA GLU 22 0.761 -9.388 5.431 153 HB2 GLU 22 1HB GLU 22 2.657 -9.357 7.709 154 HB3 GLU 22 2HB GLU 22 0.984 -9.542 8.194 155 HG2 GLU 22 1HG GLU 22 1.108 -11.277 6.040 156 HG3 GLU 22 2HG GLU 22 2.734 -11.416 6.680 157 H HIS 23 H HIS 23 -1.046 -9.115 7.376 158 HA HIS 23 HA HIS 23 -2.801 -7.770 7.721 159 HB2 HIS 23 1HB HIS 23 -0.682 -7.377 9.538 160 HB3 HIS 23 2HB HIS 23 -1.347 -5.783 9.247 161 HD1 HIS 23 1HD HIS 23 -4.233 -5.910 9.324 162 HD2 HIS 23 2HD HIS 23 -1.959 -8.596 11.605 163 HE1 HIS 23 1HE HIS 23 -5.775 -6.764 11.169 164 HA PRO 24 HA PRO 24 -1.611 -4.556 4.670 165 HB2 PRO 24 1HB PRO 24 -2.850 -5.553 2.448 166 HB3 PRO 24 2HB PRO 24 -1.147 -5.794 2.785 167 HG2 PRO 24 1HG PRO 24 -3.378 -7.717 3.040 168 HG3 PRO 24 2HG PRO 24 -1.657 -8.037 2.956 169 HD2 PRO 24 1HD PRO 24 -3.302 -8.098 5.305 170 HD3 PRO 24 2HD PRO 24 -1.563 -8.303 5.238 171 H VAL 25 H VAL 25 -2.918 -3.352 6.183 172 HA VAL 25 HA VAL 25 -5.737 -3.375 5.424 173 HB VAL 25 HB VAL 25 -4.468 -1.840 7.681 174 HG11 VAL 25 1HG1 VAL 25 -7.113 -2.118 6.689 175 HG12 VAL 25 2HG1 VAL 25 -7.045 -2.985 8.242 176 HG13 VAL 25 3HG1 VAL 25 -6.570 -1.272 8.158 177 HG21 VAL 25 1HG2 VAL 25 -5.163 -3.868 9.100 178 HG22 VAL 25 2HG2 VAL 25 -5.167 -4.778 7.570 179 HG23 VAL 25 3HG2 VAL 25 -3.669 -4.005 8.143 180 H ALA 26 H ALA 26 -6.779 -1.581 4.537 181 HA ALA 26 HA ALA 26 -5.114 0.778 4.067 182 HB1 ALA 26 1HB ALA 26 -6.740 -0.669 1.937 183 HB2 ALA 26 2HB ALA 26 -5.795 0.824 1.716 184 HB3 ALA 26 3HB ALA 26 -4.966 -0.710 2.075 185 H THR 27 H THR 27 -6.183 2.553 4.773 186 HA THR 27 HA THR 27 -9.089 2.614 4.460 187 HB THR 27 HB THR 27 -8.837 3.689 6.957 188 HG1 THR 27 1HG THR 27 -7.107 2.598 7.987 189 HG21 THR 27 1HG2 THR 27 -8.826 0.657 6.580 190 HG22 THR 27 2HG2 THR 27 -9.607 1.589 7.880 191 HG23 THR 27 3HG2 THR 27 -10.259 1.651 6.224 192 H LEU 28 H LEU 28 -9.963 4.656 4.129 193 HA LEU 28 HA LEU 28 -8.282 6.505 2.929 194 HB2 LEU 28 1HB LEU 28 -11.052 6.126 3.376 195 HB3 LEU 28 2HB LEU 28 -10.670 7.751 3.910 196 HG LEU 28 HG LEU 28 -9.353 7.509 1.452 197 HD11 LEU 28 1HD1 LEU 28 -10.490 5.511 0.834 198 HD12 LEU 28 2HD1 LEU 28 -12.062 6.164 1.353 199 HD13 LEU 28 3HD1 LEU 28 -11.242 6.846 -0.072 200 HD21 LEU 28 1HD2 LEU 28 -11.893 8.860 2.353 201 HD22 LEU 28 2HD2 LEU 28 -10.284 9.564 2.060 202 HD23 LEU 28 3HD2 LEU 28 -11.282 9.024 0.688 203 H SER 29 H SER 29 -8.057 8.874 3.644 204 HA SER 29 HA SER 29 -6.950 8.780 6.291 205 HB2 SER 29 1HB SER 29 -5.924 9.846 4.097 206 HB3 SER 29 2HB SER 29 -6.930 11.223 4.503 207 HG SER 29 HG SER 29 -4.661 10.169 5.861 208 H THR 30 H THR 30 -8.346 9.173 7.977 209 HA THR 30 HA THR 30 -10.716 10.744 7.569 210 HB THR 30 HB THR 30 -11.153 10.075 9.907 211 HG1 THR 30 1HG THR 30 -8.523 8.842 9.847 212 HG21 THR 30 1HG2 THR 30 -11.549 8.161 8.500 213 HG22 THR 30 2HG2 THR 30 -9.811 7.942 8.186 214 HG23 THR 30 3HG2 THR 30 -10.481 7.559 9.790 215 H VAL 31 H VAL 31 -7.546 11.646 7.794 216 HA VAL 31 HA VAL 31 -8.249 14.051 9.331 217 HB VAL 31 HB VAL 31 -5.999 14.227 9.991 218 HG11 VAL 31 1HG1 VAL 31 -7.166 12.612 11.325 219 HG12 VAL 31 2HG1 VAL 31 -6.892 11.331 10.120 220 HG13 VAL 31 3HG1 VAL 31 -5.522 11.992 11.045 221 HG21 VAL 31 1HG2 VAL 31 -5.020 13.638 7.766 222 HG22 VAL 31 2HG2 VAL 31 -4.168 12.904 9.146 223 HG23 VAL 31 3HG2 VAL 31 -5.274 11.920 8.157 224 H GLU 32 H GLU 32 -6.929 12.661 6.325 225 HA GLU 32 HA GLU 32 -6.810 15.384 5.284 226 HB2 GLU 32 1HB GLU 32 -4.923 13.191 5.149 227 HB3 GLU 32 2HB GLU 32 -5.453 13.578 3.524 228 HG2 GLU 32 1HG GLU 32 -4.318 15.556 5.557 229 HG3 GLU 32 2HG GLU 32 -3.482 14.941 4.145 230 H ARG 33 H ARG 33 -7.608 15.725 3.068 231 HA ARG 33 HA ARG 33 -9.809 13.945 2.560 232 HB2 ARG 33 1HB ARG 33 -9.048 16.746 1.720 233 HB3 ARG 33 2HB ARG 33 -10.149 15.858 0.685 234 HG2 ARG 33 1HG ARG 33 -10.582 16.206 3.688 235 HG3 ARG 33 2HG ARG 33 -11.269 17.279 2.485 236 HD2 ARG 33 1HD ARG 33 -12.698 15.601 1.604 237 HD3 ARG 33 2HD ARG 33 -11.713 14.291 2.224 238 HE ARG 33 HE ARG 33 -12.540 15.596 4.524 239 HH11 ARG 33 2HH2 ARG 33 -14.223 14.248 1.744 240 HH12 ARG 33 1HH2 ARG 33 -15.660 13.873 2.635 241 HH21 ARG 33 2HH1 ARG 33 -14.436 15.102 5.700 242 HH22 ARG 33 1HH1 ARG 33 -15.782 14.362 4.900 243 H ARG 34 H ARG 34 -10.210 13.040 0.385 244 HA ARG 34 HA ARG 34 -9.540 11.804 -1.272 245 HB2 ARG 34 1HB ARG 34 -7.693 14.043 -2.172 246 HB3 ARG 34 2HB ARG 34 -8.701 13.004 -3.160 247 HG2 ARG 34 1HG ARG 34 -10.652 14.165 -1.664 248 HG3 ARG 34 2HG ARG 34 -9.458 15.445 -1.580 249 HD2 ARG 34 1HD ARG 34 -9.484 15.815 -3.918 250 HD3 ARG 34 2HD ARG 34 -10.077 14.205 -4.273 251 HE ARG 34 HE ARG 34 -12.277 14.950 -3.926 252 HH11 ARG 34 2HH2 ARG 34 -10.018 17.324 -2.644 253 HH12 ARG 34 1HH2 ARG 34 -11.240 18.517 -2.352 254 HH21 ARG 34 2HH1 ARG 34 -13.889 16.523 -3.540 255 HH22 ARG 34 1HH1 ARG 34 -13.456 18.058 -2.865 256 H ALA 35 H ALA 35 -7.954 11.428 1.129 257 HA ALA 35 HA ALA 35 -5.446 10.561 -0.119 258 HB1 ALA 35 1HB ALA 35 -4.220 11.255 1.878 259 HB2 ALA 35 2HB ALA 35 -5.079 12.654 1.190 260 HB3 ALA 35 3HB ALA 35 -5.723 11.835 2.633 261 H ILE 36 H ILE 36 -4.899 8.456 0.346 262 HA ILE 36 HA ILE 36 -6.695 7.093 2.223 263 HB ILE 36 HB ILE 36 -5.318 6.249 -0.303 264 HG12 ILE 36 1HG1 ILE 36 -8.160 5.799 0.638 265 HG13 ILE 36 2HG1 ILE 36 -7.659 7.225 -0.249 266 HG21 ILE 36 1HG2 ILE 36 -5.928 4.564 2.069 267 HG22 ILE 36 2HG2 ILE 36 -6.381 3.918 0.473 268 HG23 ILE 36 3HG2 ILE 36 -4.692 4.372 0.802 269 HD11 ILE 36 1HD1 ILE 36 -6.606 5.440 -1.930 270 HD12 ILE 36 2HD1 ILE 36 -7.806 4.360 -1.180 271 HD13 ILE 36 3HD1 ILE 36 -8.338 5.845 -2.004 272 H ASN 37 H ASN 37 -5.826 5.650 3.787 273 HA ASN 37 HA ASN 37 -2.984 6.125 4.228 274 HB2 ASN 37 1HB ASN 37 -5.299 6.348 5.965 275 HB3 ASN 37 2HB ASN 37 -4.280 5.064 6.585 276 HD21 ASN 37 1HD2 ASN 37 -4.933 8.046 7.185 277 HD22 ASN 37 2HD2 ASN 37 -3.394 8.747 7.560 278 H LEU 38 H LEU 38 -1.756 4.282 3.819 279 HA LEU 38 HA LEU 38 -3.125 1.699 4.004 280 HB2 LEU 38 1HB LEU 38 -1.971 2.608 1.866 281 HB3 LEU 38 2HB LEU 38 -0.476 2.184 2.677 282 HG LEU 38 HG LEU 38 -1.799 -0.149 2.979 283 HD11 LEU 38 1HD1 LEU 38 -3.755 0.880 1.700 284 HD12 LEU 38 2HD1 LEU 38 -2.730 0.744 0.251 285 HD13 LEU 38 3HD1 LEU 38 -3.177 -0.716 1.165 286 HD21 LEU 38 1HD2 LEU 38 0.351 0.830 1.460 287 HD22 LEU 38 2HD2 LEU 38 -0.034 -0.866 1.842 288 HD23 LEU 38 3HD2 LEU 38 -0.638 -0.133 0.336 289 H THR 39 H THR 39 -2.360 0.059 5.340 290 HA THR 39 HA THR 39 0.086 0.587 6.843 291 HB THR 39 HB THR 39 -1.134 0.188 8.987 292 HG1 THR 39 1HG THR 39 -3.567 0.227 8.648 293 HG21 THR 39 1HG2 THR 39 -2.682 2.280 7.383 294 HG22 THR 39 2HG2 THR 39 -2.382 2.263 9.137 295 HG23 THR 39 3HG2 THR 39 -1.042 2.579 8.008 296 H TRP 40 H TRP 40 1.345 -1.161 6.831 297 HA TRP 40 HA TRP 40 0.005 -3.767 6.759 298 HB2 TRP 40 1HB TRP 40 1.531 -4.584 5.088 299 HB3 TRP 40 2HB TRP 40 0.619 -3.223 4.467 300 HD1 TRP 40 HD TRP 40 4.206 -4.250 5.324 301 HE1 TRP 40 1HE TRP 40 5.960 -2.484 4.446 302 HE3 TRP 40 3HE TRP 40 0.785 -0.725 4.007 303 HZ2 TRP 40 2HZ TRP 40 5.725 0.129 3.324 304 HZ3 TRP 40 3HZ TRP 40 1.631 1.405 3.028 305 HH2 TRP 40 HH TRP 40 4.007 1.860 2.680 306 H THR 41 H THR 41 1.734 -5.532 7.321 307 HA THR 41 HA THR 41 3.290 -4.475 9.563 308 HB THR 41 HB THR 41 2.063 -7.149 8.795 309 HG1 THR 41 1HG THR 41 0.759 -5.948 10.177 310 HG21 THR 41 1HG2 THR 41 4.177 -6.594 10.942 311 HG22 THR 41 2HG2 THR 41 3.122 -8.028 10.932 312 HG23 THR 41 3HG2 THR 41 4.298 -7.779 9.619 313 H LYS 42 H LYS 42 5.472 -5.276 9.973 314 HA LYS 42 HA LYS 42 6.973 -5.211 7.531 315 HB2 LYS 42 1HB LYS 42 7.512 -4.051 9.773 316 HB3 LYS 42 2HB LYS 42 8.081 -5.619 10.309 317 HG2 LYS 42 1HG LYS 42 9.101 -4.929 7.628 318 HG3 LYS 42 2HG LYS 42 9.552 -3.736 8.829 319 HD2 LYS 42 1HD LYS 42 10.607 -5.416 10.234 320 HD3 LYS 42 2HD LYS 42 9.933 -6.727 9.286 321 HE2 LYS 42 1HE LYS 42 12.211 -6.524 8.560 322 HE3 LYS 42 2HE LYS 42 11.251 -5.816 7.277 323 HZ1 LYS 42 1HZ LYS 42 13.059 -4.544 9.096 324 HZ2 LYS 42 2HZ LYS 42 12.632 -4.115 7.579 325 HZ3 LYS 42 3HZ LYS 42 11.674 -3.717 8.841 326 HA PRO 43 HA PRO 43 6.939 -9.583 7.292 327 HB2 PRO 43 1HB PRO 43 7.963 -9.775 4.765 328 HB3 PRO 43 2HB PRO 43 6.254 -9.572 5.094 329 HG2 PRO 43 1HG PRO 43 8.200 -7.580 4.102 330 HG3 PRO 43 2HG PRO 43 6.450 -7.532 4.035 331 HD2 PRO 43 1HD PRO 43 8.137 -6.080 5.842 332 HD3 PRO 43 2HD PRO 43 6.385 -6.122 5.849 333 H PHE 44 H PHE 44 8.574 -11.372 6.613 334 HA PHE 44 HA PHE 44 10.993 -10.590 8.009 335 HB2 PHE 44 1HB PHE 44 9.760 -12.680 8.610 336 HB3 PHE 44 2HB PHE 44 9.793 -13.213 6.941 337 HD1 PHE 44 2HD PHE 44 12.226 -13.453 5.915 338 HD2 PHE 44 1HD PHE 44 11.340 -13.529 10.064 339 HE1 PHE 44 2HE PHE 44 14.370 -14.683 6.350 340 HE2 PHE 44 1HE PHE 44 13.485 -14.758 10.500 341 HZ PHE 44 HZ PHE 44 14.974 -15.321 8.637 342 H ASP 45 H ASP 45 12.901 -10.154 7.000 343 HA ASP 45 HA ASP 45 12.947 -10.435 4.152 344 HB2 ASP 45 1HB ASP 45 15.030 -9.149 4.283 345 HB3 ASP 45 2HB ASP 45 13.810 -8.385 5.282 346 H GLY 46 H GLY 46 14.375 -11.867 3.009 347 HA2 GLY 46 1HA GLY 46 14.966 -14.319 3.843 348 HA3 GLY 46 2HA GLY 46 15.988 -13.448 2.718 349 H ASN 47 H ASN 47 17.653 -11.880 3.764 350 HA ASN 47 HA ASN 47 18.363 -12.450 6.438 351 HB2 ASN 47 1HB ASN 47 19.479 -14.126 4.351 352 HB3 ASN 47 2HB ASN 47 20.766 -13.109 4.967 353 HD21 ASN 47 1HD2 ASN 47 19.275 -15.981 5.321 354 HD22 ASN 47 2HD2 ASN 47 19.606 -16.349 6.981 355 H SER 48 H SER 48 17.738 -10.184 4.581 356 HA SER 48 HA SER 48 20.113 -8.656 5.119 357 HB2 SER 48 1HB SER 48 19.713 -9.678 2.540 358 HB3 SER 48 2HB SER 48 19.083 -8.047 2.424 359 HG SER 48 HG SER 48 21.132 -7.471 2.207 360 HA PRO 49 HA PRO 49 17.098 -5.597 5.809 361 HB2 PRO 49 1HB PRO 49 18.443 -3.263 5.348 362 HB3 PRO 49 2HB PRO 49 18.607 -4.187 6.828 363 HG2 PRO 49 1HG PRO 49 20.497 -3.961 4.567 364 HG3 PRO 49 2HG PRO 49 20.803 -4.512 6.202 365 HD2 PRO 49 1HD PRO 49 20.521 -6.149 3.863 366 HD3 PRO 49 2HD PRO 49 20.711 -6.704 5.514 367 H LEU 50 H LEU 50 15.257 -5.159 4.787 368 HA LEU 50 HA LEU 50 14.939 -5.334 2.135 369 HB2 LEU 50 1HB LEU 50 13.504 -3.488 4.047 370 HB3 LEU 50 2HB LEU 50 12.950 -3.857 2.426 371 HG LEU 50 HG LEU 50 13.476 -6.144 4.281 372 HD11 LEU 50 1HD1 LEU 50 12.263 -4.908 5.828 373 HD12 LEU 50 2HD1 LEU 50 11.239 -4.155 4.581 374 HD13 LEU 50 3HD1 LEU 50 11.007 -5.867 5.009 375 HD21 LEU 50 1HD2 LEU 50 11.034 -6.018 2.630 376 HD22 LEU 50 2HD2 LEU 50 12.566 -5.989 1.725 377 HD23 LEU 50 3HD2 LEU 50 12.219 -7.329 2.844 378 H ILE 51 H ILE 51 14.582 -3.703 0.397 379 HA ILE 51 HA ILE 51 16.524 -1.522 0.703 380 HB ILE 51 HB ILE 51 15.848 -3.358 -1.554 381 HG12 ILE 51 1HG1 ILE 51 18.428 -2.293 -0.372 382 HG13 ILE 51 2HG1 ILE 51 17.760 -3.899 -0.157 383 HG21 ILE 51 1HG2 ILE 51 16.582 -0.469 -1.789 384 HG22 ILE 51 2HG2 ILE 51 17.303 -1.634 -2.926 385 HG23 ILE 51 3HG2 ILE 51 15.533 -1.476 -2.816 386 HD11 ILE 51 1HD1 ILE 51 18.983 -2.672 -2.637 387 HD12 ILE 51 2HD1 ILE 51 19.318 -4.248 -1.881 388 HD13 ILE 51 3HD1 ILE 51 17.812 -4.003 -2.798 389 H ARG 52 H ARG 52 13.422 -2.477 -0.921 390 HA ARG 52 HA ARG 52 12.256 -0.050 -0.123 391 HB2 ARG 52 1HB ARG 52 12.000 1.070 -2.229 392 HB3 ARG 52 2HB ARG 52 13.691 0.615 -2.169 393 HG2 ARG 52 1HG ARG 52 13.166 -1.445 -3.516 394 HG3 ARG 52 2HG ARG 52 11.489 -0.944 -3.604 395 HD2 ARG 52 1HD ARG 52 12.392 -0.137 -5.641 396 HD3 ARG 52 2HD ARG 52 12.398 1.287 -4.621 397 HE ARG 52 HE ARG 52 14.885 0.018 -4.199 398 HH11 ARG 52 2HH2 ARG 52 13.156 1.499 -6.882 399 HH12 ARG 52 1HH2 ARG 52 14.598 1.983 -7.711 400 HH21 ARG 52 2HH1 ARG 52 16.788 0.656 -5.292 401 HH22 ARG 52 1HH1 ARG 52 16.678 1.500 -6.800 402 H TYR 53 H TYR 53 9.982 0.150 -1.476 403 HA TYR 53 HA TYR 53 9.024 -2.570 -2.016 404 HB2 TYR 53 1HB TYR 53 8.027 -0.353 -0.145 405 HB3 TYR 53 2HB TYR 53 6.894 -1.538 -0.764 406 HD1 TYR 53 2HD TYR 53 10.246 -1.437 0.931 407 HD2 TYR 53 1HD TYR 53 6.473 -3.415 0.534 408 HE1 TYR 53 2HE TYR 53 10.875 -3.030 2.810 409 HE2 TYR 53 1HE TYR 53 7.115 -5.001 2.415 410 HH TYR 53 HH TYR 53 8.665 -5.637 3.779 411 H ILE 54 H ILE 54 7.646 -2.736 -3.757 412 HA ILE 54 HA ILE 54 7.117 -0.228 -5.156 413 HB ILE 54 HB ILE 54 7.003 -3.092 -6.110 414 HG12 ILE 54 1HG1 ILE 54 9.115 -0.962 -6.562 415 HG13 ILE 54 2HG1 ILE 54 9.282 -2.355 -5.513 416 HG21 ILE 54 1HG2 ILE 54 5.501 -1.336 -7.236 417 HG22 ILE 54 2HG2 ILE 54 7.016 -0.630 -7.849 418 HG23 ILE 54 3HG2 ILE 54 6.581 -2.305 -8.268 419 HD11 ILE 54 1HD1 ILE 54 10.046 -3.508 -7.307 420 HD12 ILE 54 2HD1 ILE 54 8.398 -3.431 -7.974 421 HD13 ILE 54 3HD1 ILE 54 9.594 -2.187 -8.411 422 H LEU 55 H LEU 55 5.276 0.675 -4.307 423 HA LEU 55 HA LEU 55 3.049 -1.062 -3.683 424 HB2 LEU 55 1HB LEU 55 3.349 0.548 -2.062 425 HB3 LEU 55 2HB LEU 55 3.753 1.804 -3.216 426 HG LEU 55 HG LEU 55 1.138 1.214 -3.884 427 HD11 LEU 55 1HD1 LEU 55 1.404 1.042 -0.871 428 HD12 LEU 55 2HD1 LEU 55 -0.122 1.253 -1.763 429 HD13 LEU 55 3HD1 LEU 55 0.831 -0.237 -1.969 430 HD21 LEU 55 1HD2 LEU 55 2.549 3.364 -2.398 431 HD22 LEU 55 2HD2 LEU 55 1.565 3.437 -3.879 432 HD23 LEU 55 3HD2 LEU 55 0.773 3.337 -2.288 433 H GLU 56 H GLU 56 1.521 -1.615 -5.134 434 HA GLU 56 HA GLU 56 1.319 0.103 -7.480 435 HB2 GLU 56 1HB GLU 56 0.490 -2.820 -7.228 436 HB3 GLU 56 2HB GLU 56 0.521 -1.871 -8.700 437 HG2 GLU 56 1HG GLU 56 3.105 -1.509 -7.857 438 HG3 GLU 56 2HG GLU 56 2.790 -3.095 -7.181 439 H MET 57 H MET 57 -0.617 1.121 -7.918 440 HA MET 57 HA MET 57 -2.770 0.505 -6.061 441 HB2 MET 57 1HB MET 57 -1.823 2.868 -6.199 442 HB3 MET 57 2HB MET 57 -2.329 2.943 -7.875 443 HG2 MET 57 1HG MET 57 -4.710 2.574 -7.166 444 HG3 MET 57 2HG MET 57 -4.198 2.523 -5.491 445 HE1 MET 57 1HE MET 57 -3.699 4.271 -8.701 446 HE2 MET 57 2HE MET 57 -5.121 5.307 -8.430 447 HE3 MET 57 3HE MET 57 -3.484 5.998 -8.327 448 H SER 58 H SER 58 -4.856 -0.040 -6.782 449 HA SER 58 HA SER 58 -5.096 -0.280 -9.679 450 HB2 SER 58 1HB SER 58 -4.973 -2.528 -9.163 451 HB3 SER 58 2HB SER 58 -5.532 -2.298 -7.518 452 HG SER 58 HG SER 58 -7.187 -2.183 -9.896 453 H GLU 59 H GLU 59 -6.527 1.348 -10.219 454 HA GLU 59 HA GLU 59 -8.466 2.239 -8.387 455 HB2 GLU 59 1HB GLU 59 -7.256 3.383 -10.506 456 HB3 GLU 59 2HB GLU 59 -8.708 2.842 -11.324 457 HG2 GLU 59 1HG GLU 59 -9.982 3.938 -9.290 458 HG3 GLU 59 2HG GLU 59 -8.470 4.773 -8.993 459 H ASN 60 H ASN 60 -10.608 2.605 -10.514 460 HA ASN 60 HA ASN 60 -12.104 0.370 -9.825 461 HB2 ASN 60 1HB ASN 60 -12.429 2.821 -11.451 462 HB3 ASN 60 2HB ASN 60 -13.312 1.468 -12.130 463 HD21 ASN 60 1HD2 ASN 60 -13.712 4.035 -10.301 464 HD22 ASN 60 2HD2 ASN 60 -14.912 3.520 -9.164 465 H ASN 61 H ASN 61 -11.175 -1.617 -10.554 466 HA ASN 61 HA ASN 61 -10.730 -3.241 -11.920 467 HB2 ASN 61 1HB ASN 61 -12.815 -1.912 -13.218 468 HB3 ASN 61 2HB ASN 61 -11.592 -1.963 -14.472 469 HD21 ASN 61 1HD2 ASN 61 -14.221 -3.430 -13.695 470 HD22 ASN 61 2HD2 ASN 61 -13.882 -5.099 -14.013 471 H ALA 62 H ALA 62 -9.147 -0.472 -11.775 472 HA ALA 62 HA ALA 62 -7.724 -0.387 -14.250 473 HB1 ALA 62 1HB ALA 62 -7.859 1.094 -11.698 474 HB2 ALA 62 2HB ALA 62 -6.225 1.012 -12.401 475 HB3 ALA 62 3HB ALA 62 -7.571 1.688 -13.351 476 HA PRO 63 HA PRO 63 -4.726 -3.357 -13.289 477 HB2 PRO 63 1HB PRO 63 -2.728 -2.639 -15.010 478 HB3 PRO 63 2HB PRO 63 -4.129 -3.570 -15.503 479 HG2 PRO 63 1HG PRO 63 -3.527 -0.720 -16.007 480 HG3 PRO 63 2HG PRO 63 -4.674 -1.761 -16.826 481 HD2 PRO 63 1HD PRO 63 -5.273 0.250 -14.871 482 HD3 PRO 63 2HD PRO 63 -6.405 -0.869 -15.604 483 H TRP 64 H TRP 64 -3.014 -3.852 -11.949 484 HA TRP 64 HA TRP 64 -2.383 -2.068 -10.027 485 HB2 TRP 64 1HB TRP 64 -0.528 -4.185 -11.129 486 HB3 TRP 64 2HB TRP 64 -0.436 -3.446 -9.543 487 HD1 TRP 64 HD TRP 64 -1.791 -6.469 -11.131 488 HE1 TRP 64 1HE TRP 64 -3.553 -7.760 -9.650 489 HE3 TRP 64 3HE TRP 64 -2.567 -2.684 -7.826 490 HZ2 TRP 64 2HZ TRP 64 -5.040 -7.068 -7.314 491 HZ3 TRP 64 3HZ TRP 64 -4.190 -3.074 -5.974 492 HH2 TRP 64 HH TRP 64 -5.406 -5.175 -5.689 493 H THR 65 H THR 65 -1.689 0.017 -10.315 494 HA THR 65 HA THR 65 0.364 0.469 -12.374 495 HB THR 65 HB THR 65 -2.061 1.622 -12.250 496 HG1 THR 65 1HG THR 65 -0.919 3.377 -13.343 497 HG21 THR 65 1HG2 THR 65 -0.278 3.413 -10.515 498 HG22 THR 65 2HG2 THR 65 -1.883 3.843 -11.154 499 HG23 THR 65 3HG2 THR 65 -1.726 2.557 -9.933 500 H VAL 66 H VAL 66 2.393 0.601 -11.674 501 HA VAL 66 HA VAL 66 3.083 0.703 -8.996 502 HB VAL 66 HB VAL 66 4.581 1.387 -11.527 503 HG11 VAL 66 1HG1 VAL 66 6.610 0.885 -9.920 504 HG12 VAL 66 2HG1 VAL 66 5.908 2.518 -10.013 505 HG13 VAL 66 3HG1 VAL 66 5.479 1.441 -8.662 506 HG21 VAL 66 1HG2 VAL 66 3.682 -0.998 -10.946 507 HG22 VAL 66 2HG2 VAL 66 5.355 -0.804 -11.521 508 HG23 VAL 66 3HG2 VAL 66 5.032 -1.027 -9.785 509 H LEU 67 H LEU 67 2.280 2.310 -7.691 510 HA LEU 67 HA LEU 67 2.234 5.021 -8.660 511 HB2 LEU 67 1HB LEU 67 0.454 3.918 -7.253 512 HB3 LEU 67 2HB LEU 67 1.574 3.980 -5.907 513 HG LEU 67 HG LEU 67 1.685 6.511 -6.305 514 HD11 LEU 67 1HD1 LEU 67 -0.994 6.576 -7.456 515 HD12 LEU 67 2HD1 LEU 67 0.462 7.512 -7.874 516 HD13 LEU 67 3HD1 LEU 67 0.214 5.892 -8.570 517 HD21 LEU 67 1HD2 LEU 67 0.436 5.266 -4.472 518 HD22 LEU 67 2HD2 LEU 67 -0.127 6.911 -4.852 519 HD23 LEU 67 3HD2 LEU 67 -1.031 5.500 -5.452 520 H LEU 68 H LEU 68 3.837 3.217 -5.943 521 HA LEU 68 HA LEU 68 5.924 5.284 -6.045 522 HB2 LEU 68 1HB LEU 68 4.251 4.552 -3.910 523 HB3 LEU 68 2HB LEU 68 5.812 3.842 -3.547 524 HG LEU 68 HG LEU 68 5.484 6.755 -4.289 525 HD11 LEU 68 1HD1 LEU 68 5.135 7.384 -2.107 526 HD12 LEU 68 2HD1 LEU 68 4.193 5.876 -2.178 527 HD13 LEU 68 3HD1 LEU 68 5.814 5.879 -1.443 528 HD21 LEU 68 1HD2 LEU 68 7.689 6.942 -4.041 529 HD22 LEU 68 2HD2 LEU 68 7.679 6.016 -2.520 530 HD23 LEU 68 3HD2 LEU 68 7.745 5.163 -4.081 531 H ALA 69 H ALA 69 7.671 4.486 -7.081 532 HA ALA 69 HA ALA 69 8.118 1.631 -7.076 533 HB1 ALA 69 1HB ALA 69 8.903 2.160 -9.111 534 HB2 ALA 69 2HB ALA 69 8.726 3.896 -8.756 535 HB3 ALA 69 3HB ALA 69 10.237 3.051 -8.341 536 H SER 70 H SER 70 9.377 4.613 -5.582 537 HA SER 70 HA SER 70 11.398 2.965 -4.280 538 HB2 SER 70 1HB SER 70 12.365 4.824 -5.547 539 HB3 SER 70 2HB SER 70 11.292 5.972 -4.772 540 HG SER 70 HG SER 70 12.387 5.754 -2.825 541 H VAL 71 H VAL 71 10.433 2.207 -2.399 542 HA VAL 71 HA VAL 71 9.161 4.250 -0.711 543 HB VAL 71 HB VAL 71 8.451 1.345 -1.139 544 HG11 VAL 71 1HG1 VAL 71 7.925 1.342 1.055 545 HG12 VAL 71 2HG1 VAL 71 7.975 3.118 1.175 546 HG13 VAL 71 3HG1 VAL 71 6.521 2.309 0.542 547 HG21 VAL 71 1HG2 VAL 71 6.212 2.325 -1.699 548 HG22 VAL 71 2HG2 VAL 71 6.952 3.941 -1.610 549 HG23 VAL 71 3HG2 VAL 71 7.509 2.774 -2.832 550 H ASP 72 H ASP 72 9.590 4.113 1.565 551 HA ASP 72 HA ASP 72 12.200 3.284 2.101 552 HB2 ASP 72 1HB ASP 72 10.010 4.670 3.466 553 HB3 ASP 72 2HB ASP 72 10.819 3.577 4.571 554 HA PRO 73 HA PRO 73 11.243 -0.833 3.318 555 HB2 PRO 73 1HB PRO 73 13.629 -1.539 4.448 556 HB3 PRO 73 2HB PRO 73 13.338 -1.579 2.720 557 HG2 PRO 73 1HG PRO 73 14.898 0.379 4.292 558 HG3 PRO 73 2HG PRO 73 14.941 0.072 2.567 559 HD2 PRO 73 1HD PRO 73 13.659 2.273 3.888 560 HD3 PRO 73 2HD PRO 73 13.605 1.902 2.176 561 H LYS 74 H LYS 74 12.151 1.603 5.530 562 HA LYS 74 HA LYS 74 11.398 -0.076 7.779 563 HB2 LYS 74 1HB LYS 74 12.377 2.794 7.729 564 HB3 LYS 74 2HB LYS 74 12.182 1.783 9.147 565 HG2 LYS 74 1HG LYS 74 13.764 0.156 7.579 566 HG3 LYS 74 2HG LYS 74 14.319 1.737 7.065 567 HD2 LYS 74 1HD LYS 74 14.225 0.700 9.936 568 HD3 LYS 74 2HD LYS 74 15.667 0.956 8.974 569 HE2 LYS 74 1HE LYS 74 15.550 3.291 9.151 570 HE3 LYS 74 2HE LYS 74 13.808 3.301 9.339 571 HZ1 LYS 74 1HZ LYS 74 14.864 1.906 11.475 572 HZ2 LYS 74 2HZ LYS 74 15.748 3.271 11.327 573 HZ3 LYS 74 3HZ LYS 74 14.127 3.363 11.499 574 H ALA 75 H ALA 75 9.816 1.639 5.401 575 HA ALA 75 HA ALA 75 7.834 2.804 7.182 576 HB1 ALA 75 1HB ALA 75 7.825 4.302 5.504 577 HB2 ALA 75 2HB ALA 75 8.801 3.233 4.468 578 HB3 ALA 75 3HB ALA 75 7.029 3.069 4.497 579 H THR 76 H THR 76 5.938 1.811 7.702 580 HA THR 76 HA THR 76 5.307 -0.650 6.209 581 HB THR 76 HB THR 76 4.081 -1.109 8.514 582 HG1 THR 76 1HG THR 76 4.837 0.286 10.135 583 HG21 THR 76 1HG2 THR 76 5.889 -2.409 9.098 584 HG22 THR 76 2HG2 THR 76 6.609 -1.827 7.578 585 HG23 THR 76 3HG2 THR 76 6.989 -1.011 9.114 586 H SER 77 H SER 77 4.494 2.545 6.368 587 HA SER 77 HA SER 77 1.823 1.883 5.486 588 HB2 SER 77 1HB SER 77 1.060 4.035 6.783 589 HB3 SER 77 2HB SER 77 1.194 2.517 7.648 590 HG SER 77 HG SER 77 2.961 3.217 8.730 591 H VAL 78 H VAL 78 0.916 3.528 4.029 592 HA VAL 78 HA VAL 78 2.719 5.695 3.311 593 HB VAL 78 HB VAL 78 3.235 3.574 1.983 594 HG11 VAL 78 1HG1 VAL 78 1.053 2.726 1.523 595 HG12 VAL 78 2HG1 VAL 78 0.523 4.275 0.824 596 HG13 VAL 78 3HG1 VAL 78 1.726 3.279 -0.030 597 HG21 VAL 78 1HG2 VAL 78 3.363 6.259 1.349 598 HG22 VAL 78 2HG2 VAL 78 4.132 4.936 0.440 599 HG23 VAL 78 3HG2 VAL 78 2.544 5.558 -0.068 600 H THR 79 H THR 79 1.622 7.337 1.950 601 HA THR 79 HA THR 79 -1.307 7.152 2.223 602 HB THR 79 HB THR 79 0.468 9.629 2.533 603 HG1 THR 79 1HG THR 79 -0.968 7.878 4.403 604 HG21 THR 79 1HG2 THR 79 -1.844 10.075 3.935 605 HG22 THR 79 2HG2 THR 79 -1.624 10.598 2.248 606 HG23 THR 79 3HG2 THR 79 -2.480 9.079 2.603 607 H VAL 80 H VAL 80 -2.553 7.684 0.484 608 HA VAL 80 HA VAL 80 -1.037 8.448 -1.915 609 HB VAL 80 HB VAL 80 -3.573 6.816 -1.677 610 HG11 VAL 80 1HG1 VAL 80 -1.932 7.747 -4.037 611 HG12 VAL 80 2HG1 VAL 80 -2.973 6.306 -4.130 612 HG13 VAL 80 3HG1 VAL 80 -3.684 7.895 -3.762 613 HG21 VAL 80 1HG2 VAL 80 -0.804 6.066 -1.395 614 HG22 VAL 80 2HG2 VAL 80 -2.265 5.056 -1.276 615 HG23 VAL 80 3HG2 VAL 80 -1.486 5.312 -2.856 616 H LYS 81 H LYS 81 -1.263 10.649 -2.046 617 HA LYS 81 HA LYS 81 -3.852 11.794 -1.400 618 HB2 LYS 81 1HB LYS 81 -1.299 13.209 -2.212 619 HB3 LYS 81 2HB LYS 81 -2.721 13.919 -1.475 620 HG2 LYS 81 1HG LYS 81 -2.266 13.008 0.635 621 HG3 LYS 81 2HG LYS 81 -1.400 11.634 -0.021 622 HD2 LYS 81 1HD LYS 81 0.172 13.783 -0.861 623 HD3 LYS 81 2HD LYS 81 -0.389 14.322 0.710 624 HE2 LYS 81 1HE LYS 81 0.935 12.826 1.812 625 HE3 LYS 81 2HE LYS 81 0.425 11.498 0.788 626 HZ1 LYS 81 1HZ LYS 81 1.934 12.537 -0.925 627 HZ2 LYS 81 2HZ LYS 81 2.568 13.423 0.291 628 HZ3 LYS 81 3HZ LYS 81 2.657 11.793 0.336 629 H GLY 82 H GLY 82 -4.739 13.494 -2.959 630 HA2 GLY 82 1HA GLY 82 -5.495 14.082 -4.997 631 HA3 GLY 82 2HA GLY 82 -4.039 13.404 -5.698 632 H LEU 83 H LEU 83 -7.165 12.358 -4.167 633 HA LEU 83 HA LEU 83 -7.216 10.181 -6.140 634 HB2 LEU 83 1HB LEU 83 -8.119 10.216 -3.263 635 HB3 LEU 83 2HB LEU 83 -8.620 8.987 -4.408 636 HG LEU 83 HG LEU 83 -5.863 9.518 -3.308 637 HD11 LEU 83 1HD1 LEU 83 -5.964 7.165 -2.673 638 HD12 LEU 83 2HD1 LEU 83 -7.350 8.065 -2.012 639 HD13 LEU 83 3HD1 LEU 83 -7.567 7.014 -3.433 640 HD21 LEU 83 1HD2 LEU 83 -6.599 8.250 -5.907 641 HD22 LEU 83 2HD2 LEU 83 -5.161 9.195 -5.452 642 HD23 LEU 83 3HD2 LEU 83 -5.310 7.497 -4.937 643 H VAL 84 H VAL 84 -9.365 9.593 -6.949 644 HA VAL 84 HA VAL 84 -11.014 11.976 -7.155 645 HB VAL 84 HB VAL 84 -10.793 9.378 -8.659 646 HG11 VAL 84 1HG1 VAL 84 -13.204 10.836 -8.253 647 HG12 VAL 84 2HG1 VAL 84 -12.668 11.143 -9.923 648 HG13 VAL 84 3HG1 VAL 84 -12.908 9.472 -9.357 649 HG21 VAL 84 1HG2 VAL 84 -10.675 12.213 -9.713 650 HG22 VAL 84 2HG2 VAL 84 -9.245 11.365 -9.079 651 HG23 VAL 84 3HG2 VAL 84 -10.112 10.715 -10.491 652 HA PRO 85 HA PRO 85 -13.886 10.354 -4.339 653 HB2 PRO 85 1HB PRO 85 -15.910 12.152 -4.711 654 HB3 PRO 85 2HB PRO 85 -14.527 12.464 -3.680 655 HG2 PRO 85 1HG PRO 85 -15.113 13.538 -6.371 656 HG3 PRO 85 2HG PRO 85 -13.991 14.143 -5.168 657 HD2 PRO 85 1HD PRO 85 -13.335 12.658 -7.533 658 HD3 PRO 85 2HD PRO 85 -12.228 13.162 -6.271 659 H ALA 86 H ALA 86 -15.599 8.931 -4.148 660 HA ALA 86 HA ALA 86 -17.119 7.506 -4.894 661 HB1 ALA 86 1HB ALA 86 -18.666 9.052 -5.593 662 HB2 ALA 86 2HB ALA 86 -17.519 9.871 -6.680 663 HB3 ALA 86 3HB ALA 86 -18.280 8.341 -7.178 664 H ARG 87 H ARG 87 -14.523 6.804 -5.352 665 HA ARG 87 HA ARG 87 -14.833 5.333 -7.799 666 HB2 ARG 87 1HB ARG 87 -12.729 7.431 -7.328 667 HB3 ARG 87 2HB ARG 87 -12.187 5.948 -8.089 668 HG2 ARG 87 1HG ARG 87 -14.329 6.308 -9.639 669 HG3 ARG 87 2HG ARG 87 -14.198 7.971 -9.101 670 HD2 ARG 87 1HD ARG 87 -11.674 7.790 -9.785 671 HD3 ARG 87 2HD ARG 87 -12.146 6.339 -10.647 672 HE ARG 87 HE ARG 87 -14.008 8.237 -11.473 673 HH11 ARG 87 2HH2 ARG 87 -10.495 8.044 -11.479 674 HH12 ARG 87 1HH2 ARG 87 -10.315 9.039 -12.885 675 HH21 ARG 87 2HH1 ARG 87 -13.771 9.550 -13.329 676 HH22 ARG 87 1HH1 ARG 87 -12.191 9.901 -13.945 677 H SER 88 H SER 88 -13.633 3.322 -7.772 678 HA SER 88 HA SER 88 -12.956 2.509 -5.131 679 HB2 SER 88 1HB SER 88 -13.587 0.503 -5.946 680 HB3 SER 88 2HB SER 88 -13.863 1.253 -7.506 681 HG SER 88 HG SER 88 -12.362 -0.550 -7.621 682 H TYR 89 H TYR 89 -10.870 1.826 -4.382 683 HA TYR 89 HA TYR 89 -8.635 2.200 -6.217 684 HB2 TYR 89 1HB TYR 89 -9.333 3.676 -3.628 685 HB3 TYR 89 2HB TYR 89 -7.645 3.458 -4.045 686 HD1 TYR 89 1HD TYR 89 -7.003 4.208 -6.524 687 HD2 TYR 89 2HD TYR 89 -10.421 5.599 -4.358 688 HE1 TYR 89 1HE TYR 89 -7.108 6.275 -8.001 689 HE2 TYR 89 2HE TYR 89 -10.514 7.660 -5.842 690 HH TYR 89 HH TYR 89 -7.998 8.264 -8.248 691 H GLN 90 H GLN 90 -7.009 0.726 -5.879 692 HA GLN 90 HA GLN 90 -7.164 -0.748 -3.368 693 HB2 GLN 90 1HB GLN 90 -7.159 -1.748 -6.188 694 HB3 GLN 90 2HB GLN 90 -6.160 -2.639 -5.057 695 HG2 GLN 90 1HG GLN 90 -8.975 -1.922 -4.225 696 HG3 GLN 90 2HG GLN 90 -8.755 -3.225 -5.376 697 HE21 GLN 90 1HE2 GLN 90 -9.649 -4.587 -3.747 698 HE22 GLN 90 2HE2 GLN 90 -8.668 -5.220 -2.467 699 H PHE 91 H PHE 91 -5.017 -1.963 -2.905 700 HA PHE 91 HA PHE 91 -2.719 -0.735 -4.163 701 HB2 PHE 91 1HB PHE 91 -3.431 -0.587 -1.171 702 HB3 PHE 91 2HB PHE 91 -1.872 -0.116 -1.819 703 HD1 PHE 91 1HD PHE 91 -1.877 1.765 -3.602 704 HD2 PHE 91 2HD PHE 91 -5.141 0.985 -1.005 705 HE1 PHE 91 1HE PHE 91 -2.739 4.091 -3.987 706 HE2 PHE 91 2HE PHE 91 -6.003 3.311 -1.391 707 HZ PHE 91 HZ PHE 91 -4.792 4.836 -2.877 708 H ARG 92 H ARG 92 -0.691 -1.852 -3.625 709 HA ARG 92 HA ARG 92 -0.695 -4.034 -1.901 710 HB2 ARG 92 1HB ARG 92 -0.340 -5.797 -3.788 711 HB3 ARG 92 2HB ARG 92 -1.988 -5.307 -3.446 712 HG2 ARG 92 1HG ARG 92 -2.099 -3.893 -5.375 713 HG3 ARG 92 2HG ARG 92 -0.357 -3.861 -5.564 714 HD2 ARG 92 1HD ARG 92 -0.854 -6.577 -5.749 715 HD3 ARG 92 2HD ARG 92 -2.319 -5.922 -6.454 716 HE ARG 92 HE ARG 92 -0.432 -4.443 -7.744 717 HH11 ARG 92 2HH2 ARG 92 -0.629 -7.903 -7.135 718 HH12 ARG 92 1HH2 ARG 92 0.247 -8.334 -8.566 719 HH21 ARG 92 2HH1 ARG 92 0.724 -5.011 -9.632 720 HH22 ARG 92 1HH1 ARG 92 1.021 -6.678 -9.996 721 H LEU 93 H LEU 93 1.406 -3.749 -1.208 722 HA LEU 93 HA LEU 93 3.415 -3.195 -3.276 723 HB2 LEU 93 1HB LEU 93 4.695 -2.069 -1.602 724 HB3 LEU 93 2HB LEU 93 3.081 -1.391 -1.666 725 HG LEU 93 HG LEU 93 3.806 -3.480 0.384 726 HD11 LEU 93 1HD1 LEU 93 5.007 -2.088 1.642 727 HD12 LEU 93 2HD1 LEU 93 5.150 -1.065 0.192 728 HD13 LEU 93 3HD1 LEU 93 3.870 -0.742 1.386 729 HD21 LEU 93 1HD2 LEU 93 1.442 -2.029 -0.282 730 HD22 LEU 93 2HD2 LEU 93 1.696 -3.227 1.009 731 HD23 LEU 93 3HD2 LEU 93 1.992 -1.500 1.326 732 H CYS 94 H CYS 94 5.547 -4.223 -2.991 733 HA CYS 94 HA CYS 94 5.270 -6.761 -1.549 734 HB2 CYS 94 1HB CYS 94 6.820 -7.715 -3.288 735 HB3 CYS 94 2HB CYS 94 5.220 -7.296 -3.870 736 HG CYS 94 HG CYS 94 7.604 -5.041 -3.854 737 H ALA 95 H ALA 95 7.722 -7.691 -1.274 738 HA ALA 95 HA ALA 95 9.202 -5.475 -0.056 739 HB1 ALA 95 1HB ALA 95 8.975 -8.444 0.477 740 HB2 ALA 95 2HB ALA 95 10.359 -7.509 1.090 741 HB3 ALA 95 3HB ALA 95 8.705 -7.081 1.589 742 H VAL 96 H VAL 96 11.023 -4.759 -1.039 743 HA VAL 96 HA VAL 96 12.322 -6.621 -2.908 744 HB VAL 96 HB VAL 96 12.142 -3.610 -3.116 745 HG11 VAL 96 1HG1 VAL 96 12.732 -4.732 -5.612 746 HG12 VAL 96 2HG1 VAL 96 13.848 -3.853 -4.539 747 HG13 VAL 96 3HG1 VAL 96 13.749 -5.628 -4.458 748 HG21 VAL 96 1HG2 VAL 96 10.062 -5.357 -3.554 749 HG22 VAL 96 2HG2 VAL 96 10.246 -3.760 -4.318 750 HG23 VAL 96 3HG2 VAL 96 10.790 -5.224 -5.172 751 H ASN 97 H ASN 97 14.387 -7.144 -2.398 752 HA ASN 97 HA ASN 97 15.831 -5.232 -0.754 753 HB2 ASN 97 1HB ASN 97 16.693 -7.029 0.674 754 HB3 ASN 97 2HB ASN 97 14.944 -7.126 0.678 755 HD21 ASN 97 1HD2 ASN 97 15.959 -9.313 1.469 756 HD22 ASN 97 2HD2 ASN 97 16.021 -10.571 0.280 757 H ASP 98 H ASP 98 18.318 -6.015 -0.718 758 HA ASP 98 HA ASP 98 19.385 -5.815 -3.114 759 HB2 ASP 98 1HB ASP 98 20.575 -5.985 -0.866 760 HB3 ASP 98 2HB ASP 98 20.457 -7.729 -0.989 761 H VAL 99 H VAL 99 18.680 -8.973 -1.429 762 HA VAL 99 HA VAL 99 19.504 -10.722 -3.331 763 HB VAL 99 HB VAL 99 16.959 -10.996 -1.729 764 HG11 VAL 99 1HG1 VAL 99 18.621 -12.809 -3.318 765 HG12 VAL 99 2HG1 VAL 99 18.362 -13.387 -1.654 766 HG13 VAL 99 3HG1 VAL 99 16.966 -13.019 -2.695 767 HG21 VAL 99 1HG2 VAL 99 18.341 -10.377 -0.011 768 HG22 VAL 99 2HG2 VAL 99 18.745 -12.109 -0.092 769 HG23 VAL 99 3HG2 VAL 99 19.817 -10.908 -0.854 770 H GLY 100 H GLY 100 16.315 -9.015 -3.149 771 HA2 GLY 100 1HA GLY 100 15.920 -8.448 -5.736 772 HA3 GLY 100 2HA GLY 100 15.494 -10.148 -5.692 773 H LYS 101 H LYS 101 13.278 -9.438 -6.271 774 HA LYS 101 HA LYS 101 11.871 -8.240 -3.993 775 HB2 LYS 101 1HB LYS 101 11.659 -6.904 -5.978 776 HB3 LYS 101 2HB LYS 101 11.232 -8.296 -6.952 777 HG2 LYS 101 1HG LYS 101 9.291 -8.519 -5.070 778 HG3 LYS 101 2HG LYS 101 9.568 -6.793 -4.948 779 HD2 LYS 101 1HD LYS 101 8.914 -8.304 -7.523 780 HD3 LYS 101 2HD LYS 101 7.787 -7.320 -6.610 781 HE2 LYS 101 1HE LYS 101 9.140 -5.297 -7.024 782 HE3 LYS 101 2HE LYS 101 10.385 -6.248 -7.808 783 HZ1 LYS 101 1HZ LYS 101 8.092 -5.196 -8.938 784 HZ2 LYS 101 2HZ LYS 101 9.257 -6.076 -9.671 785 HZ3 LYS 101 3HZ LYS 101 7.957 -6.821 -9.023 786 H GLY 102 H GLY 102 10.084 -9.288 -3.077 787 HA2 GLY 102 1HA GLY 102 9.984 -12.156 -3.622 788 HA3 GLY 102 2HA GLY 102 9.314 -11.305 -2.244 789 H GLN 103 H GLN 103 7.148 -10.766 -2.231 790 HA GLN 103 HA GLN 103 5.805 -10.754 -4.803 791 HB2 GLN 103 1HB GLN 103 3.872 -12.005 -3.519 792 HB3 GLN 103 2HB GLN 103 5.200 -12.924 -4.198 793 HG2 GLN 103 1HG GLN 103 6.066 -13.474 -2.131 794 HG3 GLN 103 2HG GLN 103 5.677 -11.915 -1.431 795 HE21 GLN 103 1HE2 GLN 103 5.278 -14.468 -0.252 796 HE22 GLN 103 2HE2 GLN 103 3.585 -14.694 0.036 797 H PHE 104 H PHE 104 3.401 -9.928 -4.445 798 HA PHE 104 HA PHE 104 3.643 -7.626 -2.664 799 HB2 PHE 104 1HB PHE 104 1.774 -8.366 -4.997 800 HB3 PHE 104 2HB PHE 104 1.708 -6.833 -4.150 801 HD1 PHE 104 1HD PHE 104 4.237 -8.956 -5.906 802 HD2 PHE 104 2HD PHE 104 2.778 -5.047 -5.129 803 HE1 PHE 104 1HE PHE 104 5.936 -8.006 -7.491 804 HE2 PHE 104 2HE PHE 104 4.477 -4.098 -6.714 805 HZ PHE 104 HZ PHE 104 6.036 -5.589 -7.876 806 H SER 105 H SER 105 1.996 -7.077 -1.161 807 HA SER 105 HA SER 105 0.757 -9.261 0.020 808 HB2 SER 105 1HB SER 105 -0.548 -7.322 1.242 809 HB3 SER 105 2HB SER 105 1.173 -7.515 1.508 810 HG SER 105 HG SER 105 -0.229 -5.489 0.104 811 H LYS 106 H LYS 106 -1.617 -9.618 0.329 812 HA LYS 106 HA LYS 106 -2.974 -9.772 -2.061 813 HB2 LYS 106 1HB LYS 106 -4.784 -10.584 -0.807 814 HB3 LYS 106 2HB LYS 106 -3.364 -11.039 0.112 815 HG2 LYS 106 1HG LYS 106 -4.699 -10.129 1.802 816 HG3 LYS 106 2HG LYS 106 -3.744 -8.729 1.354 817 HD2 LYS 106 1HD LYS 106 -5.656 -7.613 0.876 818 HD3 LYS 106 2HD LYS 106 -5.957 -8.734 -0.437 819 HE2 LYS 106 1HE LYS 106 -7.896 -9.027 0.843 820 HE3 LYS 106 2HE LYS 106 -6.892 -10.320 1.469 821 HZ1 LYS 106 1HZ LYS 106 -8.014 -8.411 2.952 822 HZ2 LYS 106 2HZ LYS 106 -6.731 -9.306 3.422 823 HZ3 LYS 106 3HZ LYS 106 -6.501 -7.819 2.787 824 H ASP 107 H ASP 107 -5.094 -8.689 -2.639 825 HA ASP 107 HA ASP 107 -4.634 -5.966 -2.866 826 HB2 ASP 107 1HB ASP 107 -7.148 -5.996 -3.592 827 HB3 ASP 107 2HB ASP 107 -5.988 -6.889 -4.555 828 H THR 108 H THR 108 -4.849 -4.477 -1.188 829 HA THR 108 HA THR 108 -6.047 -5.021 1.249 830 HB THR 108 HB THR 108 -5.926 -2.436 1.415 831 HG1 THR 108 1HG THR 108 -6.244 -2.304 -0.999 832 HG21 THR 108 1HG2 THR 108 -3.314 -2.603 0.520 833 HG22 THR 108 2HG2 THR 108 -3.843 -3.132 2.135 834 HG23 THR 108 3HG2 THR 108 -3.687 -4.318 0.817 835 H GLU 109 H GLU 109 -8.006 -4.442 2.246 836 HA GLU 109 HA GLU 109 -10.244 -5.027 0.999 837 HB2 GLU 109 1HB GLU 109 -9.610 -4.014 3.479 838 HB3 GLU 109 2HB GLU 109 -10.576 -2.703 2.832 839 HG2 GLU 109 1HG GLU 109 -12.191 -4.735 2.098 840 HG3 GLU 109 2HG GLU 109 -11.383 -5.546 3.425 841 H ARG 110 H ARG 110 -11.097 -4.342 -0.916 842 HA ARG 110 HA ARG 110 -10.467 -2.370 -2.438 843 HB2 ARG 110 1HB ARG 110 -12.530 -4.055 -2.510 844 HB3 ARG 110 2HB ARG 110 -13.447 -2.673 -1.946 845 HG2 ARG 110 1HG ARG 110 -11.982 -1.530 -3.995 846 HG3 ARG 110 2HG ARG 110 -12.197 -3.158 -4.607 847 HD2 ARG 110 1HD ARG 110 -14.741 -2.696 -3.748 848 HD3 ARG 110 2HD ARG 110 -14.261 -1.042 -4.070 849 HE ARG 110 HE ARG 110 -13.445 -2.618 -6.298 850 HH11 ARG 110 2HH2 ARG 110 -16.415 -1.536 -4.752 851 HH12 ARG 110 1HH2 ARG 110 -17.340 -1.570 -6.216 852 HH21 ARG 110 2HH1 ARG 110 -14.665 -2.664 -8.229 853 HH22 ARG 110 1HH1 ARG 110 -16.338 -2.217 -8.207 854 H VAL 111 H VAL 111 -9.771 -0.365 -1.622 855 HA VAL 111 HA VAL 111 -11.511 1.060 0.206 856 HB VAL 111 HB VAL 111 -8.843 1.858 -0.970 857 HG11 VAL 111 1HG1 VAL 111 -8.763 3.185 1.224 858 HG12 VAL 111 2HG1 VAL 111 -9.856 3.778 -0.050 859 HG13 VAL 111 3HG1 VAL 111 -10.512 2.875 1.337 860 HG21 VAL 111 1HG2 VAL 111 -7.956 1.063 1.284 861 HG22 VAL 111 2HG2 VAL 111 -9.504 0.206 1.480 862 HG23 VAL 111 3HG2 VAL 111 -8.425 -0.204 0.124 863 H SER 112 H SER 112 -13.176 2.228 -0.590 864 HA SER 112 HA SER 112 -12.870 3.254 -3.287 865 HB2 SER 112 1HB SER 112 -14.896 2.097 -3.222 866 HB3 SER 112 2HB SER 112 -15.209 2.511 -1.548 867 HG SER 112 HG SER 112 -15.275 4.443 -3.703 868 H LEU 113 H LEU 113 -13.137 5.502 -3.755 869 HA LEU 113 HA LEU 113 -12.501 7.219 -1.555 870 HB2 LEU 113 1HB LEU 113 -12.085 7.189 -4.320 871 HB3 LEU 113 2HB LEU 113 -13.157 8.548 -4.045 872 HG LEU 113 HG LEU 113 -10.605 8.934 -4.021 873 HD11 LEU 113 1HD1 LEU 113 -11.256 10.309 -1.649 874 HD12 LEU 113 2HD1 LEU 113 -11.357 10.900 -3.325 875 HD13 LEU 113 3HD1 LEU 113 -12.774 10.140 -2.562 876 HD21 LEU 113 1HD2 LEU 113 -10.546 8.436 -1.125 877 HD22 LEU 113 2HD2 LEU 113 -10.613 6.963 -2.122 878 HD23 LEU 113 3HD2 LEU 113 -9.310 8.149 -2.373 879 HA PRO 114 HA PRO 114 -16.590 8.330 -0.668 880 HB2 PRO 114 1HB PRO 114 -16.113 10.434 1.010 881 HB3 PRO 114 2HB PRO 114 -16.061 8.761 1.531 882 HG2 PRO 114 1HG PRO 114 -13.815 10.614 1.022 883 HG3 PRO 114 2HG PRO 114 -13.818 9.116 1.930 884 HD2 PRO 114 1HD PRO 114 -12.795 9.514 -0.720 885 HD3 PRO 114 2HD PRO 114 -12.903 7.993 0.144 886 H GLU 115 H GLU 115 -18.171 9.330 -1.755 887 HA GLU 115 HA GLU 115 -17.439 11.080 -3.751 888 HB2 GLU 115 1HB GLU 115 -19.622 9.645 -3.348 889 HB3 GLU 115 2HB GLU 115 -20.220 11.091 -2.558 890 HG2 GLU 115 1HG GLU 115 -19.744 12.421 -4.620 891 HG3 GLU 115 2HG GLU 115 -19.126 10.984 -5.410 892 H SER 116 H SER 116 -17.577 13.367 -3.991 893 HA SER 116 HA SER 116 -17.137 14.761 -1.570 894 HB2 SER 116 1HB SER 116 -16.039 15.195 -3.858 895 HB3 SER 116 2HB SER 116 -17.539 15.962 -4.339 896 HG SER 116 HG SER 116 -16.450 17.677 -3.538 897 H GLY 117 H GLY 117 -18.921 15.083 -0.251 898 HA2 GLY 117 1HA GLY 117 -20.973 15.720 0.413 899 HA3 GLY 117 2HA GLY 117 -20.838 16.976 -0.802 900 HA PRO 118 HA PRO 118 -24.295 14.695 -2.375 901 HB2 PRO 118 1HB PRO 118 -25.446 16.772 -3.728 902 HB3 PRO 118 2HB PRO 118 -25.791 16.415 -2.047 903 HG2 PRO 118 1HG PRO 118 -24.127 18.581 -3.179 904 HG3 PRO 118 2HG PRO 118 -24.823 18.456 -1.576 905 HD2 PRO 118 1HD PRO 118 -22.085 18.000 -2.299 906 HD3 PRO 118 2HD PRO 118 -22.806 17.762 -0.719 907 H SER 119 H SER 119 -23.109 17.172 -4.603 908 HA SER 119 HA SER 119 -22.727 17.012 -6.758 909 HB2 SER 119 1HB SER 119 -20.552 16.364 -5.820 910 HB3 SER 119 2HB SER 119 -21.046 14.686 -5.728 911 HG SER 119 HG SER 119 -21.274 14.730 -8.103 912 H SER 120 H SER 120 -24.940 16.418 -7.391 913 HA SER 120 HA SER 120 -25.821 13.808 -7.470 914 HB2 SER 120 1HB SER 120 -27.582 14.641 -8.950 915 HB3 SER 120 2HB SER 120 -27.274 15.821 -7.691 916 HG SER 120 HG SER 120 -25.626 16.606 -9.547 917 H GLY 121 H GLY 121 -24.733 12.167 -8.513 918 HA2 GLY 121 1HA GLY 121 -23.901 12.682 -11.304 919 HA3 GLY 121 2HA GLY 121 -22.882 11.823 -10.166 Start of MODEL 12 1 H1 GLY 1 H GLY 1 15.628 -5.478 -22.580 2 HA2 GLY 1 1HA GLY 1 13.263 -7.150 -22.150 3 HA3 GLY 1 2HA GLY 1 13.056 -5.660 -23.048 4 H SER 2 H SER 2 15.145 -8.625 -22.922 5 HA SER 2 HA SER 2 14.686 -9.202 -25.594 6 HB2 SER 2 1HB SER 2 17.081 -8.821 -26.419 7 HB3 SER 2 2HB SER 2 16.087 -7.387 -26.254 8 HG SER 2 HG SER 2 17.324 -6.654 -24.634 9 H SER 3 H SER 3 17.425 -9.267 -23.188 10 HA SER 3 HA SER 3 16.985 -12.035 -22.759 11 HB2 SER 3 1HB SER 3 19.592 -11.178 -24.093 12 HB3 SER 3 2HB SER 3 19.247 -12.783 -23.482 13 HG SER 3 HG SER 3 18.860 -12.712 -25.751 14 H GLY 4 H GLY 4 18.627 -12.886 -21.077 15 HA2 GLY 4 1HA GLY 4 20.490 -11.387 -19.751 16 HA3 GLY 4 2HA GLY 4 18.964 -10.889 -19.048 17 H SER 5 H SER 5 20.986 -12.255 -17.561 18 HA SER 5 HA SER 5 19.407 -14.395 -16.602 19 HB2 SER 5 1HB SER 5 21.576 -14.983 -18.467 20 HB3 SER 5 2HB SER 5 21.904 -15.708 -16.906 21 HG SER 5 HG SER 5 19.817 -16.250 -18.756 22 H SER 6 H SER 6 20.554 -15.433 -14.611 23 HA SER 6 HA SER 6 22.839 -14.302 -13.569 24 HB2 SER 6 1HB SER 6 20.432 -12.676 -13.196 25 HB3 SER 6 2HB SER 6 21.089 -13.178 -11.650 26 HG SER 6 HG SER 6 22.154 -11.273 -12.175 27 H GLY 7 H GLY 7 23.320 -15.201 -11.415 28 HA2 GLY 7 1HA GLY 7 21.321 -17.144 -10.446 29 HA3 GLY 7 2HA GLY 7 22.968 -17.640 -10.782 30 H ARG 8 H ARG 8 22.914 -18.245 -8.411 31 HA ARG 8 HA ARG 8 23.488 -15.868 -6.828 32 HB2 ARG 8 1HB ARG 8 22.673 -17.116 -4.839 33 HB3 ARG 8 2HB ARG 8 21.418 -17.011 -6.058 34 HG2 ARG 8 1HG ARG 8 23.225 -19.404 -6.212 35 HG3 ARG 8 2HG ARG 8 22.123 -19.348 -4.850 36 HD2 ARG 8 1HD ARG 8 20.391 -18.645 -6.845 37 HD3 ARG 8 2HD ARG 8 21.515 -19.616 -7.775 38 HE ARG 8 HE ARG 8 20.648 -20.861 -5.253 39 HH11 ARG 8 2HH2 ARG 8 20.016 -20.498 -8.695 40 HH12 ARG 8 1HH2 ARG 8 19.097 -21.962 -8.811 41 HH21 ARG 8 2HH1 ARG 8 19.437 -22.792 -5.405 42 HH22 ARG 8 1HH1 ARG 8 18.766 -23.276 -6.927 43 H SER 9 H SER 9 25.006 -16.428 -4.873 44 HA SER 9 HA SER 9 26.719 -18.674 -5.451 45 HB2 SER 9 1HB SER 9 27.410 -15.924 -6.102 46 HB3 SER 9 2HB SER 9 28.495 -16.520 -4.861 47 HG SER 9 HG SER 9 29.192 -18.180 -6.199 48 H ALA 10 H ALA 10 26.397 -15.649 -3.444 49 HA ALA 10 HA ALA 10 26.565 -15.298 -1.265 50 HB1 ALA 10 1HB ALA 10 25.031 -16.484 -0.091 51 HB2 ALA 10 2HB ALA 10 24.737 -17.333 -1.627 52 HB3 ALA 10 3HB ALA 10 25.841 -18.034 -0.420 53 H HIS 11 H HIS 11 27.607 -16.213 0.904 54 HA HIS 11 HA HIS 11 29.694 -18.099 0.516 55 HB2 HIS 11 1HB HIS 11 30.470 -15.857 -0.570 56 HB3 HIS 11 2HB HIS 11 30.668 -15.307 1.082 57 HD1 HIS 11 1HD HIS 11 32.566 -16.781 -1.542 58 HD2 HIS 11 2HD HIS 11 32.362 -17.394 2.603 59 HE1 HIS 11 1HE HIS 11 34.737 -17.949 -0.884 60 H LEU 12 H LEU 12 28.815 -15.160 2.474 61 HA LEU 12 HA LEU 12 29.310 -16.753 4.870 62 HB2 LEU 12 1HB LEU 12 29.261 -13.839 4.227 63 HB3 LEU 12 2HB LEU 12 28.878 -14.341 5.861 64 HG LEU 12 HG LEU 12 31.356 -15.476 4.657 65 HD11 LEU 12 1HD1 LEU 12 32.132 -13.024 5.838 66 HD12 LEU 12 2HD1 LEU 12 32.321 -13.547 4.147 67 HD13 LEU 12 3HD1 LEU 12 30.865 -12.651 4.644 68 HD21 LEU 12 1HD2 LEU 12 30.214 -14.960 7.309 69 HD22 LEU 12 2HD2 LEU 12 31.394 -16.182 6.778 70 HD23 LEU 12 3HD2 LEU 12 31.936 -14.532 7.169 71 H ARG 13 H ARG 13 26.849 -14.397 3.593 72 HA ARG 13 HA ARG 13 24.910 -15.927 5.133 73 HB2 ARG 13 1HB ARG 13 25.123 -12.982 4.443 74 HB3 ARG 13 2HB ARG 13 23.537 -13.667 4.738 75 HG2 ARG 13 1HG ARG 13 24.037 -13.127 6.922 76 HG3 ARG 13 2HG ARG 13 24.814 -14.698 6.895 77 HD2 ARG 13 1HD ARG 13 26.986 -13.775 6.686 78 HD3 ARG 13 2HD ARG 13 26.395 -12.267 6.016 79 HE ARG 13 HE ARG 13 26.101 -11.449 8.188 80 HH11 ARG 13 2HH2 ARG 13 26.337 -14.958 8.310 81 HH12 ARG 13 1HH2 ARG 13 26.368 -15.023 10.040 82 HH21 ARG 13 2HH1 ARG 13 26.141 -11.535 10.471 83 HH22 ARG 13 1HH1 ARG 13 26.255 -13.063 11.278 84 H VAL 14 H VAL 14 22.897 -16.505 4.095 85 HA VAL 14 HA VAL 14 23.120 -16.617 1.211 86 HB VAL 14 HB VAL 14 22.463 -18.500 2.872 87 HG11 VAL 14 1HG1 VAL 14 20.050 -18.720 3.265 88 HG12 VAL 14 2HG1 VAL 14 20.695 -17.252 4.038 89 HG13 VAL 14 3HG1 VAL 14 19.775 -17.127 2.519 90 HG21 VAL 14 1HG2 VAL 14 20.907 -19.479 1.130 91 HG22 VAL 14 2HG2 VAL 14 21.012 -17.922 0.274 92 HG23 VAL 14 3HG2 VAL 14 22.477 -18.903 0.522 93 H ARG 15 H ARG 15 22.071 -15.283 -0.182 94 HA ARG 15 HA ARG 15 20.460 -13.242 0.991 95 HB2 ARG 15 1HB ARG 15 21.827 -13.729 -1.621 96 HB3 ARG 15 2HB ARG 15 20.340 -12.809 -1.742 97 HG2 ARG 15 1HG ARG 15 21.315 -11.387 0.246 98 HG3 ARG 15 2HG ARG 15 22.849 -12.125 -0.170 99 HD2 ARG 15 1HD ARG 15 21.553 -11.194 -2.604 100 HD3 ARG 15 2HD ARG 15 21.584 -9.888 -1.437 101 HE ARG 15 HE ARG 15 24.150 -10.970 -1.305 102 HH11 ARG 15 2HH2 ARG 15 22.139 -9.642 -3.869 103 HH12 ARG 15 1HH2 ARG 15 23.483 -9.074 -4.803 104 HH21 ARG 15 2HH1 ARG 15 25.923 -10.220 -2.536 105 HH22 ARG 15 1HH1 ARG 15 25.650 -9.405 -4.040 106 H GLN 16 H GLN 16 18.445 -14.146 1.594 107 HA GLN 16 HA GLN 16 17.074 -15.733 -0.386 108 HB2 GLN 16 1HB GLN 16 17.120 -15.624 2.481 109 HB3 GLN 16 2HB GLN 16 15.484 -15.243 1.980 110 HG2 GLN 16 1HG GLN 16 15.835 -17.703 2.286 111 HG3 GLN 16 2HG GLN 16 15.340 -17.301 0.653 112 HE21 GLN 16 1HE2 GLN 16 17.815 -18.538 2.695 113 HE22 GLN 16 2HE2 GLN 16 18.961 -19.003 1.482 114 H LEU 17 H LEU 17 14.593 -15.250 -0.617 115 HA LEU 17 HA LEU 17 14.396 -12.415 -1.246 116 HB2 LEU 17 1HB LEU 17 13.084 -14.920 -2.192 117 HB3 LEU 17 2HB LEU 17 12.183 -13.422 -2.306 118 HG LEU 17 HG LEU 17 14.806 -14.117 -3.637 119 HD11 LEU 17 1HD1 LEU 17 13.551 -13.608 -5.701 120 HD12 LEU 17 2HD1 LEU 17 12.835 -14.948 -4.774 121 HD13 LEU 17 3HD1 LEU 17 12.088 -13.333 -4.725 122 HD21 LEU 17 1HD2 LEU 17 14.580 -11.761 -4.637 123 HD22 LEU 17 2HD2 LEU 17 13.532 -11.414 -3.241 124 HD23 LEU 17 3HD2 LEU 17 15.221 -11.913 -2.984 125 HA PRO 18 HA PRO 18 11.801 -11.723 2.142 126 HB2 PRO 18 1HB PRO 18 10.764 -9.293 1.443 127 HB3 PRO 18 2HB PRO 18 12.343 -9.485 2.179 128 HG2 PRO 18 1HG PRO 18 11.670 -8.889 -0.638 129 HG3 PRO 18 2HG PRO 18 13.195 -8.668 0.197 130 HD2 PRO 18 1HD PRO 18 12.535 -10.764 -1.646 131 HD3 PRO 18 2HD PRO 18 14.017 -10.608 -0.724 132 H HIS 19 H HIS 19 9.534 -11.323 2.866 133 HA HIS 19 HA HIS 19 7.831 -12.564 0.839 134 HB2 HIS 19 1HB HIS 19 7.745 -12.575 3.860 135 HB3 HIS 19 2HB HIS 19 6.382 -13.086 2.884 136 HD1 HIS 19 1HD HIS 19 6.965 -15.413 4.270 137 HD2 HIS 19 2HD HIS 19 9.586 -14.277 1.198 138 HE1 HIS 19 1HE HIS 19 8.300 -17.501 3.661 139 H ALA 20 H ALA 20 5.512 -11.830 0.802 140 HA ALA 20 HA ALA 20 5.419 -9.033 0.534 141 HB1 ALA 20 1HB ALA 20 2.829 -10.395 0.786 142 HB2 ALA 20 2HB ALA 20 3.533 -9.533 -0.603 143 HB3 ALA 20 3HB ALA 20 3.946 -11.240 -0.312 144 HA PRO 21 HA PRO 21 4.067 -7.768 4.442 145 HB2 PRO 21 1HB PRO 21 2.297 -5.754 3.912 146 HB3 PRO 21 2HB PRO 21 4.036 -5.546 3.838 147 HG2 PRO 21 1HG PRO 21 2.101 -5.787 1.616 148 HG3 PRO 21 2HG PRO 21 3.740 -5.165 1.583 149 HD2 PRO 21 1HD PRO 21 2.859 -7.732 0.653 150 HD3 PRO 21 2HD PRO 21 4.512 -7.155 0.728 151 H GLU 22 H GLU 22 2.531 -7.854 6.150 152 HA GLU 22 HA GLU 22 0.285 -9.488 5.279 153 HB2 GLU 22 1HB GLU 22 1.754 -9.288 7.936 154 HB3 GLU 22 2HB GLU 22 0.215 -10.112 7.785 155 HG2 GLU 22 1HG GLU 22 1.515 -11.282 5.702 156 HG3 GLU 22 2HG GLU 22 2.904 -10.891 6.697 157 H HIS 23 H HIS 23 -1.635 -9.254 7.079 158 HA HIS 23 HA HIS 23 -3.393 -7.877 7.327 159 HB2 HIS 23 1HB HIS 23 -3.285 -7.071 9.438 160 HB3 HIS 23 2HB HIS 23 -1.782 -7.973 9.443 161 HD1 HIS 23 1HD HIS 23 -3.038 -4.786 10.390 162 HD2 HIS 23 2HD HIS 23 0.477 -6.080 8.501 163 HE1 HIS 23 1HE HIS 23 -1.335 -2.909 10.687 164 HA PRO 24 HA PRO 24 -1.821 -4.473 4.685 165 HB2 PRO 24 1HB PRO 24 -2.874 -5.237 2.282 166 HB3 PRO 24 2HB PRO 24 -1.219 -5.571 2.753 167 HG2 PRO 24 1HG PRO 24 -3.523 -7.420 2.638 168 HG3 PRO 24 2HG PRO 24 -1.813 -7.799 2.687 169 HD2 PRO 24 1HD PRO 24 -3.675 -7.986 4.861 170 HD3 PRO 24 2HD PRO 24 -1.945 -8.253 4.937 171 H VAL 25 H VAL 25 -3.230 -3.350 6.171 172 HA VAL 25 HA VAL 25 -5.963 -3.201 5.157 173 HB VAL 25 HB VAL 25 -4.695 -2.132 7.688 174 HG11 VAL 25 1HG1 VAL 25 -7.407 -1.877 6.494 175 HG12 VAL 25 2HG1 VAL 25 -7.337 -2.244 8.234 176 HG13 VAL 25 3HG1 VAL 25 -6.528 -0.792 7.598 177 HG21 VAL 25 1HG2 VAL 25 -6.653 -4.412 7.601 178 HG22 VAL 25 2HG2 VAL 25 -4.931 -4.713 7.267 179 HG23 VAL 25 3HG2 VAL 25 -5.425 -4.012 8.826 180 H ALA 26 H ALA 26 -6.902 -1.245 4.448 181 HA ALA 26 HA ALA 26 -5.071 1.028 4.229 182 HB1 ALA 26 1HB ALA 26 -5.501 1.287 1.897 183 HB2 ALA 26 2HB ALA 26 -5.092 -0.430 2.123 184 HB3 ALA 26 3HB ALA 26 -6.791 0.061 1.922 185 H THR 27 H THR 27 -6.088 2.511 5.503 186 HA THR 27 HA THR 27 -9.013 2.705 5.234 187 HB THR 27 HB THR 27 -8.363 4.115 7.497 188 HG1 THR 27 1HG THR 27 -6.596 2.751 8.428 189 HG21 THR 27 1HG2 THR 27 -8.938 2.147 8.797 190 HG22 THR 27 2HG2 THR 27 -9.887 2.040 7.295 191 HG23 THR 27 3HG2 THR 27 -8.415 1.058 7.489 192 H LEU 28 H LEU 28 -10.017 4.705 4.887 193 HA LEU 28 HA LEU 28 -8.688 6.393 3.141 194 HB2 LEU 28 1HB LEU 28 -11.268 6.305 4.545 195 HB3 LEU 28 2HB LEU 28 -10.728 7.921 4.136 196 HG LEU 28 HG LEU 28 -11.010 5.638 2.162 197 HD11 LEU 28 1HD1 LEU 28 -13.156 6.498 3.199 198 HD12 LEU 28 2HD1 LEU 28 -12.808 8.054 2.408 199 HD13 LEU 28 3HD1 LEU 28 -13.044 6.589 1.425 200 HD21 LEU 28 1HD2 LEU 28 -10.921 8.408 1.172 201 HD22 LEU 28 2HD2 LEU 28 -9.406 7.834 1.911 202 HD23 LEU 28 3HD2 LEU 28 -10.133 6.934 0.558 203 H SER 29 H SER 29 -8.744 8.966 3.680 204 HA SER 29 HA SER 29 -7.256 9.209 6.178 205 HB2 SER 29 1HB SER 29 -6.214 9.537 3.640 206 HB3 SER 29 2HB SER 29 -6.668 11.184 4.034 207 HG SER 29 HG SER 29 -4.436 10.378 4.694 208 H THR 30 H THR 30 -9.657 9.625 6.862 209 HA THR 30 HA THR 30 -11.239 11.646 6.076 210 HB THR 30 HB THR 30 -12.024 11.664 8.428 211 HG1 THR 30 1HG THR 30 -9.451 10.288 8.763 212 HG21 THR 30 1HG2 THR 30 -10.902 8.872 8.214 213 HG22 THR 30 2HG2 THR 30 -12.551 9.393 8.638 214 HG23 THR 30 3HG2 THR 30 -12.023 9.404 6.938 215 H VAL 31 H VAL 31 -8.060 11.978 7.593 216 HA VAL 31 HA VAL 31 -8.436 14.735 8.228 217 HB VAL 31 HB VAL 31 -6.103 14.682 8.806 218 HG11 VAL 31 1HG1 VAL 31 -7.798 13.596 10.313 219 HG12 VAL 31 2HG1 VAL 31 -7.320 12.026 9.625 220 HG13 VAL 31 3HG1 VAL 31 -6.133 13.003 10.522 221 HG21 VAL 31 1HG2 VAL 31 -6.055 12.040 7.322 222 HG22 VAL 31 2HG2 VAL 31 -5.101 13.505 6.992 223 HG23 VAL 31 3HG2 VAL 31 -4.781 12.547 8.457 224 H GLU 32 H GLU 32 -6.633 12.896 5.668 225 HA GLU 32 HA GLU 32 -6.389 15.403 4.234 226 HB2 GLU 32 1HB GLU 32 -4.687 13.132 4.583 227 HB3 GLU 32 2HB GLU 32 -5.129 13.165 2.887 228 HG2 GLU 32 1HG GLU 32 -4.086 15.605 4.399 229 HG3 GLU 32 2HG GLU 32 -3.053 14.523 3.487 230 H ARG 33 H ARG 33 -7.769 15.884 2.579 231 HA ARG 33 HA ARG 33 -9.740 14.021 1.879 232 HB2 ARG 33 1HB ARG 33 -9.005 16.831 1.138 233 HB3 ARG 33 2HB ARG 33 -9.948 15.964 -0.059 234 HG2 ARG 33 1HG ARG 33 -10.734 16.161 2.886 235 HG3 ARG 33 2HG ARG 33 -11.324 17.256 1.652 236 HD2 ARG 33 1HD ARG 33 -12.324 15.347 0.404 237 HD3 ARG 33 2HD ARG 33 -11.687 14.221 1.585 238 HE ARG 33 HE ARG 33 -14.001 15.996 1.927 239 HH11 ARG 33 2HH2 ARG 33 -11.572 14.051 3.569 240 HH12 ARG 33 1HH2 ARG 33 -12.508 13.872 5.016 241 HH21 ARG 33 2HH1 ARG 33 -15.237 15.761 3.835 242 HH22 ARG 33 1HH1 ARG 33 -14.607 14.851 5.168 243 H ARG 34 H ARG 34 -9.805 12.560 0.169 244 HA ARG 34 HA ARG 34 -9.278 11.514 -1.654 245 HB2 ARG 34 1HB ARG 34 -7.382 13.788 -2.417 246 HB3 ARG 34 2HB ARG 34 -8.082 12.604 -3.502 247 HG2 ARG 34 1HG ARG 34 -10.397 13.538 -2.601 248 HG3 ARG 34 2HG ARG 34 -9.445 14.922 -2.101 249 HD2 ARG 34 1HD ARG 34 -9.232 13.851 -4.940 250 HD3 ARG 34 2HD ARG 34 -10.532 14.938 -4.495 251 HE ARG 34 HE ARG 34 -7.673 15.613 -4.704 252 HH11 ARG 34 2HH2 ARG 34 -10.826 16.594 -3.489 253 HH12 ARG 34 1HH2 ARG 34 -10.401 18.269 -3.369 254 HH21 ARG 34 2HH1 ARG 34 -7.111 17.822 -4.546 255 HH22 ARG 34 1HH1 ARG 34 -8.273 18.972 -3.974 256 H ALA 35 H ALA 35 -7.882 11.006 0.781 257 HA ALA 35 HA ALA 35 -5.366 9.993 -0.308 258 HB1 ALA 35 1HB ALA 35 -5.192 12.224 1.081 259 HB2 ALA 35 2HB ALA 35 -5.446 11.149 2.477 260 HB3 ALA 35 3HB ALA 35 -4.053 10.893 1.398 261 H ILE 36 H ILE 36 -4.494 8.176 1.053 262 HA ILE 36 HA ILE 36 -6.514 6.977 2.778 263 HB ILE 36 HB ILE 36 -5.289 5.596 0.387 264 HG12 ILE 36 1HG1 ILE 36 -8.199 6.231 0.944 265 HG13 ILE 36 2HG1 ILE 36 -7.165 7.212 -0.075 266 HG21 ILE 36 1HG2 ILE 36 -7.408 4.171 1.778 267 HG22 ILE 36 2HG2 ILE 36 -5.791 3.620 1.277 268 HG23 ILE 36 3HG2 ILE 36 -6.002 4.467 2.828 269 HD11 ILE 36 1HD1 ILE 36 -7.946 4.298 -0.505 270 HD12 ILE 36 2HD1 ILE 36 -8.346 5.695 -1.534 271 HD13 ILE 36 3HD1 ILE 36 -6.668 5.108 -1.443 272 H ASN 37 H ASN 37 -5.627 6.030 4.569 273 HA ASN 37 HA ASN 37 -2.779 6.266 4.779 274 HB2 ASN 37 1HB ASN 37 -5.100 5.914 6.645 275 HB3 ASN 37 2HB ASN 37 -3.605 5.169 7.175 276 HD21 ASN 37 1HD2 ASN 37 -5.288 7.662 7.853 277 HD22 ASN 37 2HD2 ASN 37 -4.129 8.939 8.008 278 H LEU 38 H LEU 38 -1.649 4.511 3.888 279 HA LEU 38 HA LEU 38 -2.841 1.880 3.986 280 HB2 LEU 38 1HB LEU 38 -1.307 3.202 2.154 281 HB3 LEU 38 2HB LEU 38 -0.107 2.203 2.950 282 HG LEU 38 HG LEU 38 -1.296 1.303 0.844 283 HD11 LEU 38 1HD1 LEU 38 0.208 0.004 2.319 284 HD12 LEU 38 2HD1 LEU 38 -1.198 -0.458 3.307 285 HD13 LEU 38 3HD1 LEU 38 -1.095 -0.979 1.608 286 HD21 LEU 38 1HD2 LEU 38 -3.416 0.351 1.006 287 HD22 LEU 38 2HD2 LEU 38 -3.413 0.397 2.785 288 HD23 LEU 38 3HD2 LEU 38 -3.590 1.905 1.856 289 H THR 39 H THR 39 -2.297 0.254 5.381 290 HA THR 39 HA THR 39 0.110 0.618 7.006 291 HB THR 39 HB THR 39 -1.274 0.067 9.044 292 HG1 THR 39 1HG THR 39 -3.603 0.091 8.648 293 HG21 THR 39 1HG2 THR 39 -0.980 2.542 8.090 294 HG22 THR 39 2HG2 THR 39 -2.704 2.370 7.682 295 HG23 THR 39 3HG2 THR 39 -2.172 2.229 9.375 296 H TRP 40 H TRP 40 1.300 -1.187 7.175 297 HA TRP 40 HA TRP 40 -0.056 -3.746 6.875 298 HB2 TRP 40 1HB TRP 40 1.448 -4.533 5.174 299 HB3 TRP 40 2HB TRP 40 0.569 -3.130 4.600 300 HD1 TRP 40 HD TRP 40 4.125 -4.291 5.365 301 HE1 TRP 40 1HE TRP 40 5.922 -2.530 4.571 302 HE3 TRP 40 3HE TRP 40 0.800 -0.593 4.308 303 HZ2 TRP 40 2HZ TRP 40 5.755 0.153 3.612 304 HZ3 TRP 40 3HZ TRP 40 1.700 1.567 3.447 305 HH2 TRP 40 HH TRP 40 4.085 1.970 3.095 306 H THR 41 H THR 41 1.847 -5.522 7.196 307 HA THR 41 HA THR 41 3.358 -4.570 9.531 308 HB THR 41 HB THR 41 2.094 -7.207 8.691 309 HG1 THR 41 1HG THR 41 1.031 -6.734 10.648 310 HG21 THR 41 1HG2 THR 41 4.161 -6.761 10.911 311 HG22 THR 41 2HG2 THR 41 3.178 -8.230 10.701 312 HG23 THR 41 3HG2 THR 41 4.396 -7.791 9.479 313 H LYS 42 H LYS 42 5.540 -5.377 9.877 314 HA LYS 42 HA LYS 42 6.997 -5.280 7.407 315 HB2 LYS 42 1HB LYS 42 7.556 -4.170 9.695 316 HB3 LYS 42 2HB LYS 42 8.197 -5.741 10.132 317 HG2 LYS 42 1HG LYS 42 9.081 -4.908 7.447 318 HG3 LYS 42 2HG LYS 42 9.536 -3.741 8.673 319 HD2 LYS 42 1HD LYS 42 10.744 -5.395 9.951 320 HD3 LYS 42 2HD LYS 42 10.034 -6.721 9.052 321 HE2 LYS 42 1HE LYS 42 11.832 -6.658 7.668 322 HE3 LYS 42 2HE LYS 42 11.255 -5.115 7.070 323 HZ1 LYS 42 1HZ LYS 42 13.124 -4.331 7.921 324 HZ2 LYS 42 2HZ LYS 42 12.442 -4.478 9.397 325 HZ3 LYS 42 3HZ LYS 42 13.417 -5.658 8.827 326 HA PRO 43 HA PRO 43 6.951 -9.651 7.130 327 HB2 PRO 43 1HB PRO 43 7.914 -9.821 4.578 328 HB3 PRO 43 2HB PRO 43 6.213 -9.620 4.950 329 HG2 PRO 43 1HG PRO 43 8.135 -7.620 3.929 330 HG3 PRO 43 2HG PRO 43 6.383 -7.572 3.904 331 HD2 PRO 43 1HD PRO 43 8.114 -6.135 5.683 332 HD3 PRO 43 2HD PRO 43 6.363 -6.178 5.732 333 H PHE 44 H PHE 44 8.574 -11.430 6.379 334 HA PHE 44 HA PHE 44 10.980 -10.735 7.808 335 HB2 PHE 44 1HB PHE 44 9.923 -12.904 8.231 336 HB3 PHE 44 2HB PHE 44 9.726 -13.216 6.518 337 HD1 PHE 44 1HD PHE 44 11.907 -13.491 5.135 338 HD2 PHE 44 2HD PHE 44 11.750 -13.793 9.365 339 HE1 PHE 44 1HE PHE 44 14.059 -14.782 5.123 340 HE2 PHE 44 2HE PHE 44 13.902 -15.083 9.353 341 HZ PHE 44 HZ PHE 44 15.031 -15.563 7.232 342 H ASP 45 H ASP 45 12.931 -10.232 6.906 343 HA ASP 45 HA ASP 45 13.016 -10.096 4.052 344 HB2 ASP 45 1HB ASP 45 14.851 -8.672 4.346 345 HB3 ASP 45 2HB ASP 45 13.965 -8.401 5.833 346 H GLY 46 H GLY 46 14.829 -11.105 2.792 347 HA2 GLY 46 1HA GLY 46 15.434 -13.765 3.743 348 HA3 GLY 46 2HA GLY 46 15.800 -13.075 2.175 349 H ASN 47 H ASN 47 16.723 -12.738 5.673 350 HA ASN 47 HA ASN 47 18.699 -12.707 6.607 351 HB2 ASN 47 1HB ASN 47 19.359 -13.818 4.066 352 HB3 ASN 47 2HB ASN 47 20.516 -12.523 4.305 353 HD21 ASN 47 1HD2 ASN 47 21.533 -14.935 4.196 354 HD22 ASN 47 2HD2 ASN 47 22.026 -15.543 5.741 355 H SER 48 H SER 48 18.684 -10.923 3.431 356 HA SER 48 HA SER 48 20.102 -8.744 4.650 357 HB2 SER 48 1HB SER 48 19.907 -9.792 2.041 358 HB3 SER 48 2HB SER 48 19.062 -8.259 1.947 359 HG SER 48 HG SER 48 20.918 -7.200 2.134 360 HA PRO 49 HA PRO 49 16.491 -6.432 5.414 361 HB2 PRO 49 1HB PRO 49 17.518 -3.906 5.591 362 HB3 PRO 49 2HB PRO 49 17.591 -5.064 6.904 363 HG2 PRO 49 1HG PRO 49 19.749 -4.185 5.085 364 HG3 PRO 49 2HG PRO 49 19.881 -4.992 6.635 365 HD2 PRO 49 1HD PRO 49 20.217 -6.181 4.046 366 HD3 PRO 49 2HD PRO 49 20.233 -7.010 5.591 367 H LEU 50 H LEU 50 14.756 -5.856 4.261 368 HA LEU 50 HA LEU 50 14.836 -5.654 1.578 369 HB2 LEU 50 1HB LEU 50 12.930 -3.991 3.201 370 HB3 LEU 50 2HB LEU 50 12.656 -4.795 1.668 371 HG LEU 50 HG LEU 50 11.502 -6.172 3.085 372 HD11 LEU 50 1HD1 LEU 50 14.315 -7.282 3.030 373 HD12 LEU 50 2HD1 LEU 50 12.902 -8.204 3.596 374 HD13 LEU 50 3HD1 LEU 50 12.972 -7.625 1.914 375 HD21 LEU 50 1HD2 LEU 50 13.303 -6.586 5.325 376 HD22 LEU 50 2HD2 LEU 50 12.915 -4.864 5.100 377 HD23 LEU 50 3HD2 LEU 50 11.605 -6.053 5.302 378 H ILE 51 H ILE 51 14.838 -3.935 0.010 379 HA ILE 51 HA ILE 51 16.505 -1.717 0.899 380 HB ILE 51 HB ILE 51 15.963 -3.078 -1.703 381 HG12 ILE 51 1HG1 ILE 51 18.481 -2.184 -0.269 382 HG13 ILE 51 2HG1 ILE 51 17.841 -3.814 -0.320 383 HG21 ILE 51 1HG2 ILE 51 17.370 -1.120 -2.703 384 HG22 ILE 51 2HG2 ILE 51 15.606 -0.955 -2.532 385 HG23 ILE 51 3HG2 ILE 51 16.690 -0.188 -1.347 386 HD11 ILE 51 1HD1 ILE 51 17.936 -3.417 -2.969 387 HD12 ILE 51 2HD1 ILE 51 19.171 -2.223 -2.502 388 HD13 ILE 51 3HD1 ILE 51 19.377 -3.935 -2.062 389 H ARG 52 H ARG 52 13.487 -2.360 -1.013 390 HA ARG 52 HA ARG 52 12.367 -0.008 0.143 391 HB2 ARG 52 1HB ARG 52 11.978 1.222 -1.883 392 HB3 ARG 52 2HB ARG 52 13.664 0.750 -1.957 393 HG2 ARG 52 1HG ARG 52 12.994 -1.260 -3.347 394 HG3 ARG 52 2HG ARG 52 11.343 -0.672 -3.344 395 HD2 ARG 52 1HD ARG 52 12.215 0.174 -5.383 396 HD3 ARG 52 2HD ARG 52 12.317 1.552 -4.305 397 HE ARG 52 HE ARG 52 14.758 0.133 -4.042 398 HH11 ARG 52 2HH2 ARG 52 13.012 1.906 -6.530 399 HH12 ARG 52 1HH2 ARG 52 14.447 2.389 -7.373 400 HH21 ARG 52 2HH1 ARG 52 16.650 0.770 -5.153 401 HH22 ARG 52 1HH1 ARG 52 16.530 1.738 -6.584 402 H TYR 53 H TYR 53 10.077 0.299 -1.411 403 HA TYR 53 HA TYR 53 9.008 -2.399 -1.789 404 HB2 TYR 53 1HB TYR 53 8.203 -0.138 0.091 405 HB3 TYR 53 2HB TYR 53 6.919 -1.115 -0.591 406 HD1 TYR 53 1HD TYR 53 10.206 -1.553 1.170 407 HD2 TYR 53 2HD TYR 53 6.219 -2.991 0.588 408 HE1 TYR 53 1HE TYR 53 10.564 -3.300 2.983 409 HE2 TYR 53 2HE TYR 53 6.590 -4.732 2.403 410 HH TYR 53 HH TYR 53 8.003 -5.634 3.766 411 H ILE 54 H ILE 54 7.539 -2.571 -3.470 412 HA ILE 54 HA ILE 54 7.045 -0.067 -4.913 413 HB ILE 54 HB ILE 54 7.177 -2.933 -5.851 414 HG12 ILE 54 1HG1 ILE 54 8.985 -0.536 -6.231 415 HG13 ILE 54 2HG1 ILE 54 9.370 -2.062 -5.459 416 HG21 ILE 54 1HG2 ILE 54 6.311 -2.388 -7.863 417 HG22 ILE 54 2HG2 ILE 54 5.479 -1.131 -6.915 418 HG23 ILE 54 3HG2 ILE 54 6.958 -0.730 -7.821 419 HD11 ILE 54 1HD1 ILE 54 8.399 -2.709 -8.070 420 HD12 ILE 54 2HD1 ILE 54 9.549 -1.363 -8.260 421 HD13 ILE 54 3HD1 ILE 54 10.062 -2.866 -7.456 422 H LEU 55 H LEU 55 5.157 0.748 -4.071 423 HA LEU 55 HA LEU 55 2.978 -1.095 -3.565 424 HB2 LEU 55 1HB LEU 55 3.648 0.733 -1.989 425 HB3 LEU 55 2HB LEU 55 3.104 1.897 -3.180 426 HG LEU 55 HG LEU 55 1.554 0.214 -1.318 427 HD11 LEU 55 1HD1 LEU 55 1.795 2.941 -2.029 428 HD12 LEU 55 2HD1 LEU 55 0.131 2.446 -2.424 429 HD13 LEU 55 3HD1 LEU 55 0.762 2.212 -0.776 430 HD21 LEU 55 1HD2 LEU 55 0.460 0.716 -4.099 431 HD22 LEU 55 2HD2 LEU 55 0.983 -0.864 -3.467 432 HD23 LEU 55 3HD2 LEU 55 -0.399 -0.022 -2.726 433 H GLU 56 H GLU 56 1.602 -1.668 -5.152 434 HA GLU 56 HA GLU 56 1.267 0.270 -7.307 435 HB2 GLU 56 1HB GLU 56 1.097 -2.773 -7.341 436 HB3 GLU 56 2HB GLU 56 0.593 -1.770 -8.686 437 HG2 GLU 56 1HG GLU 56 3.147 -0.775 -8.034 438 HG3 GLU 56 2HG GLU 56 3.311 -2.507 -7.825 439 H MET 57 H MET 57 -0.825 0.909 -7.890 440 HA MET 57 HA MET 57 -2.909 -0.184 -6.166 441 HB2 MET 57 1HB MET 57 -2.779 2.139 -5.685 442 HB3 MET 57 2HB MET 57 -2.315 2.555 -7.323 443 HG2 MET 57 1HG MET 57 -5.068 1.391 -6.816 444 HG3 MET 57 2HG MET 57 -4.775 3.081 -6.462 445 HE1 MET 57 1HE MET 57 -3.221 4.402 -7.990 446 HE2 MET 57 2HE MET 57 -3.438 4.483 -9.755 447 HE3 MET 57 3HE MET 57 -4.751 5.005 -8.673 448 H SER 58 H SER 58 -5.010 -0.644 -7.079 449 HA SER 58 HA SER 58 -4.984 -0.715 -9.993 450 HB2 SER 58 1HB SER 58 -4.654 -2.990 -9.357 451 HB3 SER 58 2HB SER 58 -5.780 -2.876 -8.019 452 HG SER 58 HG SER 58 -7.509 -2.573 -9.639 453 H GLU 59 H GLU 59 -6.264 1.211 -10.131 454 HA GLU 59 HA GLU 59 -8.499 1.640 -8.547 455 HB2 GLU 59 1HB GLU 59 -7.084 3.209 -10.181 456 HB3 GLU 59 2HB GLU 59 -8.324 2.769 -11.339 457 HG2 GLU 59 1HG GLU 59 -9.828 3.370 -9.068 458 HG3 GLU 59 2HG GLU 59 -8.510 4.519 -8.952 459 H ASN 60 H ASN 60 -10.627 2.280 -10.296 460 HA ASN 60 HA ASN 60 -12.083 0.081 -10.367 461 HB2 ASN 60 1HB ASN 60 -12.097 2.650 -11.811 462 HB3 ASN 60 2HB ASN 60 -12.827 1.384 -12.779 463 HD21 ASN 60 1HD2 ASN 60 -13.091 3.420 -10.033 464 HD22 ASN 60 2HD2 ASN 60 -14.663 2.943 -9.485 465 H ASN 61 H ASN 61 -11.431 -1.932 -11.183 466 HA ASN 61 HA ASN 61 -10.479 -3.417 -12.476 467 HB2 ASN 61 1HB ASN 61 -12.524 -2.005 -13.982 468 HB3 ASN 61 2HB ASN 61 -11.266 -2.498 -15.098 469 HD21 ASN 61 1HD2 ASN 61 -11.493 -4.406 -15.957 470 HD22 ASN 61 2HD2 ASN 61 -12.302 -5.780 -15.281 471 H ALA 62 H ALA 62 -8.862 -0.933 -11.994 472 HA ALA 62 HA ALA 62 -7.493 -0.502 -14.519 473 HB1 ALA 62 1HB ALA 62 -8.061 1.045 -12.226 474 HB2 ALA 62 2HB ALA 62 -6.303 0.768 -12.192 475 HB3 ALA 62 3HB ALA 62 -7.059 1.513 -13.621 476 HA PRO 63 HA PRO 63 -4.351 -3.323 -13.572 477 HB2 PRO 63 1HB PRO 63 -2.352 -2.425 -15.205 478 HB3 PRO 63 2HB PRO 63 -3.679 -3.419 -15.772 479 HG2 PRO 63 1HG PRO 63 -3.237 -0.521 -16.158 480 HG3 PRO 63 2HG PRO 63 -4.295 -1.598 -17.047 481 HD2 PRO 63 1HD PRO 63 -5.070 0.301 -15.042 482 HD3 PRO 63 2HD PRO 63 -6.111 -0.855 -15.848 483 H TRP 64 H TRP 64 -2.728 -3.759 -12.133 484 HA TRP 64 HA TRP 64 -2.235 -1.971 -10.175 485 HB2 TRP 64 1HB TRP 64 -0.359 -4.094 -11.230 486 HB3 TRP 64 2HB TRP 64 -0.194 -3.285 -9.685 487 HD1 TRP 64 HD TRP 64 -1.517 -6.413 -10.976 488 HE1 TRP 64 1HE TRP 64 -3.277 -7.594 -9.404 489 HE3 TRP 64 3HE TRP 64 -2.422 -2.348 -8.058 490 HZ2 TRP 64 2HZ TRP 64 -4.815 -6.716 -7.167 491 HZ3 TRP 64 3HZ TRP 64 -4.066 -2.595 -6.201 492 HH2 TRP 64 HH TRP 64 -5.245 -4.685 -5.735 493 H THR 65 H THR 65 -1.326 0.039 -10.155 494 HA THR 65 HA THR 65 0.711 0.598 -12.211 495 HB THR 65 HB THR 65 -1.379 1.823 -12.652 496 HG1 THR 65 1HG THR 65 0.473 3.128 -12.950 497 HG21 THR 65 1HG2 THR 65 -1.121 2.529 -9.700 498 HG22 THR 65 2HG2 THR 65 -1.951 3.628 -10.827 499 HG23 THR 65 3HG2 THR 65 -2.565 1.976 -10.581 500 H VAL 66 H VAL 66 2.693 1.186 -11.556 501 HA VAL 66 HA VAL 66 3.297 1.064 -8.803 502 HB VAL 66 HB VAL 66 4.846 1.906 -11.253 503 HG11 VAL 66 1HG1 VAL 66 5.609 1.949 -8.363 504 HG12 VAL 66 2HG1 VAL 66 6.818 1.380 -9.539 505 HG13 VAL 66 3HG1 VAL 66 6.118 3.009 -9.699 506 HG21 VAL 66 1HG2 VAL 66 4.249 -0.443 -11.233 507 HG22 VAL 66 2HG2 VAL 66 5.989 -0.275 -10.897 508 HG23 VAL 66 3HG2 VAL 66 4.855 -0.620 -9.569 509 H LEU 67 H LEU 67 2.362 2.589 -7.483 510 HA LEU 67 HA LEU 67 2.273 5.334 -8.373 511 HB2 LEU 67 1HB LEU 67 0.446 4.067 -7.120 512 HB3 LEU 67 2HB LEU 67 1.450 4.233 -5.693 513 HG LEU 67 HG LEU 67 1.410 6.763 -6.158 514 HD11 LEU 67 1HD1 LEU 67 0.243 7.610 -7.849 515 HD12 LEU 67 2HD1 LEU 67 0.088 5.950 -8.473 516 HD13 LEU 67 3HD1 LEU 67 -1.190 6.636 -7.442 517 HD21 LEU 67 1HD2 LEU 67 -0.195 6.956 -4.588 518 HD22 LEU 67 2HD2 LEU 67 -1.357 5.954 -5.490 519 HD23 LEU 67 3HD2 LEU 67 -0.066 5.182 -4.538 520 H LEU 68 H LEU 68 3.656 3.523 -5.538 521 HA LEU 68 HA LEU 68 5.673 5.654 -5.390 522 HB2 LEU 68 1HB LEU 68 3.912 4.581 -3.430 523 HB3 LEU 68 2HB LEU 68 5.542 4.103 -2.998 524 HG LEU 68 HG LEU 68 4.549 6.930 -3.448 525 HD11 LEU 68 1HD1 LEU 68 5.595 5.664 -0.906 526 HD12 LEU 68 2HD1 LEU 68 4.828 7.258 -1.105 527 HD13 LEU 68 3HD1 LEU 68 3.868 5.775 -1.323 528 HD21 LEU 68 1HD2 LEU 68 6.786 6.874 -4.262 529 HD22 LEU 68 2HD2 LEU 68 6.834 7.592 -2.634 530 HD23 LEU 68 3HD2 LEU 68 7.337 5.902 -2.877 531 H ALA 69 H ALA 69 7.524 5.015 -6.355 532 HA ALA 69 HA ALA 69 8.129 2.192 -6.492 533 HB1 ALA 69 1HB ALA 69 8.983 2.910 -8.442 534 HB2 ALA 69 2HB ALA 69 8.749 4.609 -7.965 535 HB3 ALA 69 3HB ALA 69 10.251 3.761 -7.527 536 H SER 70 H SER 70 9.898 5.186 -5.409 537 HA SER 70 HA SER 70 11.649 3.546 -3.868 538 HB2 SER 70 1HB SER 70 12.979 5.309 -4.347 539 HB3 SER 70 2HB SER 70 11.614 6.255 -4.904 540 HG SER 70 HG SER 70 12.703 7.256 -3.089 541 H VAL 71 H VAL 71 10.660 2.612 -2.074 542 HA VAL 71 HA VAL 71 9.358 4.497 -0.235 543 HB VAL 71 HB VAL 71 8.527 1.752 -1.137 544 HG11 VAL 71 1HG1 VAL 71 7.790 3.127 1.464 545 HG12 VAL 71 2HG1 VAL 71 6.851 1.796 0.746 546 HG13 VAL 71 3HG1 VAL 71 8.538 1.526 1.247 547 HG21 VAL 71 1HG2 VAL 71 6.623 3.987 -0.598 548 HG22 VAL 71 2HG2 VAL 71 7.702 4.144 -2.005 549 HG23 VAL 71 3HG2 VAL 71 6.607 2.747 -1.875 550 H ASP 72 H ASP 72 9.748 4.128 2.015 551 HA ASP 72 HA ASP 72 12.310 3.135 2.507 552 HB2 ASP 72 1HB ASP 72 10.136 4.453 3.984 553 HB3 ASP 72 2HB ASP 72 10.937 3.255 4.980 554 HA PRO 73 HA PRO 73 11.157 -1.031 3.318 555 HB2 PRO 73 1HB PRO 73 13.479 -1.940 4.435 556 HB3 PRO 73 2HB PRO 73 13.236 -1.807 2.705 557 HG2 PRO 73 1HG PRO 73 14.827 -0.071 4.492 558 HG3 PRO 73 2HG PRO 73 14.908 -0.218 2.747 559 HD2 PRO 73 1HD PRO 73 13.678 1.903 4.236 560 HD3 PRO 73 2HD PRO 73 13.658 1.695 2.496 561 H LYS 74 H LYS 74 12.491 0.918 5.878 562 HA LYS 74 HA LYS 74 11.469 -0.854 7.889 563 HB2 LYS 74 1HB LYS 74 12.824 1.848 7.942 564 HB3 LYS 74 2HB LYS 74 12.194 1.092 9.391 565 HG2 LYS 74 1HG LYS 74 13.796 -0.779 7.763 566 HG3 LYS 74 2HG LYS 74 14.716 0.631 8.248 567 HD2 LYS 74 1HD LYS 74 15.000 -0.964 10.019 568 HD3 LYS 74 2HD LYS 74 13.883 0.234 10.640 569 HE2 LYS 74 1HE LYS 74 11.956 -1.246 10.043 570 HE3 LYS 74 2HE LYS 74 13.068 -2.443 9.409 571 HZ1 LYS 74 1HZ LYS 74 13.504 -1.520 12.119 572 HZ2 LYS 74 2HZ LYS 74 12.239 -2.520 11.858 573 HZ3 LYS 74 3HZ LYS 74 13.752 -2.999 11.473 574 H ALA 75 H ALA 75 9.997 1.179 5.702 575 HA ALA 75 HA ALA 75 8.095 2.324 7.562 576 HB1 ALA 75 1HB ALA 75 7.247 3.477 5.625 577 HB2 ALA 75 2HB ALA 75 9.023 3.524 5.530 578 HB3 ALA 75 3HB ALA 75 8.108 2.379 4.521 579 H THR 76 H THR 76 6.069 1.520 7.992 580 HA THR 76 HA THR 76 5.259 -0.843 6.428 581 HB THR 76 HB THR 76 4.249 -1.586 8.684 582 HG1 THR 76 1HG THR 76 6.193 0.416 9.569 583 HG21 THR 76 1HG2 THR 76 6.149 -2.853 8.765 584 HG22 THR 76 2HG2 THR 76 7.049 -1.626 7.842 585 HG23 THR 76 3HG2 THR 76 6.942 -1.505 9.615 586 H SER 77 H SER 77 4.686 2.315 6.651 587 HA SER 77 HA SER 77 1.915 1.895 6.031 588 HB2 SER 77 1HB SER 77 1.397 4.003 7.527 589 HB3 SER 77 2HB SER 77 1.455 2.411 8.258 590 HG SER 77 HG SER 77 3.932 3.768 8.136 591 H VAL 78 H VAL 78 1.064 3.585 4.653 592 HA VAL 78 HA VAL 78 2.813 5.817 4.067 593 HB VAL 78 HB VAL 78 3.527 3.831 2.666 594 HG11 VAL 78 1HG1 VAL 78 1.625 4.088 0.575 595 HG12 VAL 78 2HG1 VAL 78 1.983 2.656 1.570 596 HG13 VAL 78 3HG1 VAL 78 0.713 3.797 2.076 597 HG21 VAL 78 1HG2 VAL 78 3.414 6.531 2.103 598 HG22 VAL 78 2HG2 VAL 78 4.318 5.311 1.173 599 HG23 VAL 78 3HG2 VAL 78 2.686 5.798 0.654 600 H THR 79 H THR 79 1.695 7.508 2.844 601 HA THR 79 HA THR 79 -1.230 7.150 2.916 602 HB THR 79 HB THR 79 0.442 9.640 3.551 603 HG1 THR 79 1HG THR 79 0.548 8.248 5.333 604 HG21 THR 79 1HG2 THR 79 -2.451 9.227 4.323 605 HG22 THR 79 2HG2 THR 79 -1.570 10.747 4.035 606 HG23 THR 79 3HG2 THR 79 -2.099 9.750 2.658 607 H VAL 80 H VAL 80 -2.066 7.043 0.936 608 HA VAL 80 HA VAL 80 -0.570 8.185 -1.257 609 HB VAL 80 HB VAL 80 -3.176 6.651 -1.187 610 HG11 VAL 80 1HG1 VAL 80 -1.527 7.811 -3.374 611 HG12 VAL 80 2HG1 VAL 80 -2.159 6.168 -3.636 612 HG13 VAL 80 3HG1 VAL 80 -3.278 7.508 -3.291 613 HG21 VAL 80 1HG2 VAL 80 -0.874 5.603 -0.355 614 HG22 VAL 80 2HG2 VAL 80 -2.028 4.673 -1.341 615 HG23 VAL 80 3HG2 VAL 80 -0.607 5.425 -2.106 616 H LYS 81 H LYS 81 -1.420 9.786 -2.717 617 HA LYS 81 HA LYS 81 -3.810 11.175 -1.825 618 HB2 LYS 81 1HB LYS 81 -1.160 12.616 -2.130 619 HB3 LYS 81 2HB LYS 81 -2.707 13.343 -1.747 620 HG2 LYS 81 1HG LYS 81 -2.828 12.089 0.374 621 HG3 LYS 81 2HG LYS 81 -1.365 11.208 -0.022 622 HD2 LYS 81 1HD LYS 81 -0.417 13.753 -0.277 623 HD3 LYS 81 2HD LYS 81 -1.687 14.047 0.895 624 HE2 LYS 81 1HE LYS 81 -0.405 13.178 2.551 625 HE3 LYS 81 2HE LYS 81 -0.293 11.650 1.699 626 HZ1 LYS 81 1HZ LYS 81 1.510 12.647 0.387 627 HZ2 LYS 81 2HZ LYS 81 1.453 13.981 1.327 628 HZ3 LYS 81 3HZ LYS 81 1.865 12.541 1.977 629 H GLY 82 H GLY 82 -4.594 12.728 -3.497 630 HA2 GLY 82 1HA GLY 82 -4.716 13.507 -5.659 631 HA3 GLY 82 2HA GLY 82 -3.391 12.464 -6.134 632 H LEU 83 H LEU 83 -5.995 11.077 -4.192 633 HA LEU 83 HA LEU 83 -6.646 9.323 -6.378 634 HB2 LEU 83 1HB LEU 83 -7.020 9.407 -3.459 635 HB3 LEU 83 2HB LEU 83 -8.345 8.679 -4.345 636 HG LEU 83 HG LEU 83 -7.036 6.923 -5.147 637 HD11 LEU 83 1HD1 LEU 83 -4.470 6.969 -4.802 638 HD12 LEU 83 2HD1 LEU 83 -5.181 7.898 -6.144 639 HD13 LEU 83 3HD1 LEU 83 -4.683 8.730 -4.651 640 HD21 LEU 83 1HD2 LEU 83 -7.383 7.084 -2.571 641 HD22 LEU 83 2HD2 LEU 83 -6.306 5.836 -3.242 642 HD23 LEU 83 3HD2 LEU 83 -5.619 7.314 -2.528 643 H VAL 84 H VAL 84 -8.958 8.907 -6.995 644 HA VAL 84 HA VAL 84 -10.286 11.486 -7.288 645 HB VAL 84 HB VAL 84 -10.369 8.851 -8.728 646 HG11 VAL 84 1HG1 VAL 84 -12.156 10.613 -10.027 647 HG12 VAL 84 2HG1 VAL 84 -12.534 9.074 -9.216 648 HG13 VAL 84 3HG1 VAL 84 -12.622 10.604 -8.309 649 HG21 VAL 84 1HG2 VAL 84 -9.890 10.273 -10.686 650 HG22 VAL 84 2HG2 VAL 84 -9.914 11.713 -9.640 651 HG23 VAL 84 3HG2 VAL 84 -8.665 10.466 -9.409 652 HA PRO 85 HA PRO 85 -13.247 10.295 -4.352 653 HB2 PRO 85 1HB PRO 85 -15.054 12.311 -4.727 654 HB3 PRO 85 2HB PRO 85 -13.616 12.485 -3.742 655 HG2 PRO 85 1HG PRO 85 -14.147 13.546 -6.449 656 HG3 PRO 85 2HG PRO 85 -12.927 14.046 -5.294 657 HD2 PRO 85 1HD PRO 85 -12.520 12.429 -7.628 658 HD3 PRO 85 2HD PRO 85 -11.326 12.832 -6.411 659 H ALA 86 H ALA 86 -15.078 9.057 -4.085 660 HA ALA 86 HA ALA 86 -16.831 7.867 -4.736 661 HB1 ALA 86 1HB ALA 86 -16.960 10.240 -6.433 662 HB2 ALA 86 2HB ALA 86 -17.620 8.809 -7.260 663 HB3 ALA 86 3HB ALA 86 -18.278 9.309 -5.683 664 H ARG 87 H ARG 87 -14.304 6.831 -5.124 665 HA ARG 87 HA ARG 87 -14.845 5.104 -7.325 666 HB2 ARG 87 1HB ARG 87 -12.603 7.116 -7.363 667 HB3 ARG 87 2HB ARG 87 -12.231 5.512 -7.962 668 HG2 ARG 87 1HG ARG 87 -14.417 5.751 -9.386 669 HG3 ARG 87 2HG ARG 87 -14.326 7.458 -8.999 670 HD2 ARG 87 1HD ARG 87 -11.853 7.324 -9.853 671 HD3 ARG 87 2HD ARG 87 -12.313 5.783 -10.550 672 HE ARG 87 HE ARG 87 -14.240 7.827 -11.249 673 HH11 ARG 87 2HH2 ARG 87 -11.021 6.646 -12.040 674 HH12 ARG 87 1HH2 ARG 87 -11.056 7.256 -13.660 675 HH21 ARG 87 2HH1 ARG 87 -14.287 8.632 -13.387 676 HH22 ARG 87 1HH1 ARG 87 -12.927 8.394 -14.432 677 H SER 88 H SER 88 -13.582 3.091 -7.176 678 HA SER 88 HA SER 88 -12.735 2.634 -4.481 679 HB2 SER 88 1HB SER 88 -13.324 0.922 -6.892 680 HB3 SER 88 2HB SER 88 -12.336 0.240 -5.616 681 HG SER 88 HG SER 88 -14.016 0.356 -4.171 682 H TYR 89 H TYR 89 -10.614 1.738 -3.903 683 HA TYR 89 HA TYR 89 -8.567 1.898 -5.967 684 HB2 TYR 89 1HB TYR 89 -8.952 3.592 -3.456 685 HB3 TYR 89 2HB TYR 89 -7.312 3.206 -3.939 686 HD1 TYR 89 2HD TYR 89 -6.709 3.746 -6.458 687 HD2 TYR 89 1HD TYR 89 -9.974 5.502 -4.322 688 HE1 TYR 89 2HE TYR 89 -6.736 5.697 -8.088 689 HE2 TYR 89 1HE TYR 89 -9.990 7.446 -5.960 690 HH TYR 89 HH TYR 89 -8.046 7.382 -8.852 691 H GLN 90 H GLN 90 -7.391 0.058 -5.830 692 HA GLN 90 HA GLN 90 -7.265 -1.183 -3.196 693 HB2 GLN 90 1HB GLN 90 -7.217 -2.330 -6.006 694 HB3 GLN 90 2HB GLN 90 -6.611 -3.260 -4.650 695 HG2 GLN 90 1HG GLN 90 -8.843 -2.855 -3.475 696 HG3 GLN 90 2HG GLN 90 -9.427 -2.122 -4.956 697 HE21 GLN 90 1HE2 GLN 90 -10.023 -4.649 -3.371 698 HE22 GLN 90 2HE2 GLN 90 -10.041 -5.926 -4.541 699 H PHE 91 H PHE 91 -5.289 -1.396 -2.195 700 HA PHE 91 HA PHE 91 -2.958 -0.670 -3.823 701 HB2 PHE 91 1HB PHE 91 -3.662 -0.456 -0.837 702 HB3 PHE 91 2HB PHE 91 -2.054 -0.115 -1.443 703 HD1 PHE 91 2HD PHE 91 -2.494 1.433 -3.841 704 HD2 PHE 91 1HD PHE 91 -4.626 1.530 -0.173 705 HE1 PHE 91 2HE PHE 91 -3.169 3.808 -4.296 706 HE2 PHE 91 1HE PHE 91 -5.301 3.905 -0.628 707 HZ PHE 91 HZ PHE 91 -4.564 5.015 -2.684 708 H ARG 92 H ARG 92 -0.937 -1.810 -3.420 709 HA ARG 92 HA ARG 92 -0.885 -3.985 -1.664 710 HB2 ARG 92 1HB ARG 92 -0.633 -5.780 -3.466 711 HB3 ARG 92 2HB ARG 92 -2.261 -5.162 -3.273 712 HG2 ARG 92 1HG ARG 92 -2.289 -4.212 -5.359 713 HG3 ARG 92 2HG ARG 92 -0.653 -3.603 -5.213 714 HD2 ARG 92 1HD ARG 92 -0.142 -6.298 -5.379 715 HD3 ARG 92 2HD ARG 92 -1.615 -6.210 -6.325 716 HE ARG 92 HE ARG 92 -0.228 -4.148 -7.409 717 HH11 ARG 92 2HH2 ARG 92 0.817 -7.408 -6.596 718 HH12 ARG 92 1HH2 ARG 92 2.020 -7.471 -7.841 719 HH21 ARG 92 2HH1 ARG 92 1.359 -4.230 -9.051 720 HH22 ARG 92 1HH1 ARG 92 2.330 -5.650 -9.247 721 H LEU 93 H LEU 93 1.234 -3.745 -1.015 722 HA LEU 93 HA LEU 93 3.197 -3.130 -3.111 723 HB2 LEU 93 1HB LEU 93 4.553 -2.166 -1.311 724 HB3 LEU 93 2HB LEU 93 3.024 -1.343 -1.549 725 HG LEU 93 HG LEU 93 3.214 -3.461 0.568 726 HD11 LEU 93 1HD1 LEU 93 3.744 -0.903 1.739 727 HD12 LEU 93 2HD1 LEU 93 4.707 -2.398 1.813 728 HD13 LEU 93 3HD1 LEU 93 4.969 -1.235 0.491 729 HD21 LEU 93 1HD2 LEU 93 1.802 -1.080 1.314 730 HD22 LEU 93 2HD2 LEU 93 1.263 -1.603 -0.300 731 HD23 LEU 93 3HD2 LEU 93 1.184 -2.732 1.074 732 H CYS 94 H CYS 94 5.412 -4.089 -2.726 733 HA CYS 94 HA CYS 94 5.139 -6.693 -1.412 734 HB2 CYS 94 1HB CYS 94 6.402 -7.751 -3.168 735 HB3 CYS 94 2HB CYS 94 5.035 -6.922 -3.887 736 HG CYS 94 HG CYS 94 6.175 -5.200 -5.136 737 H ALA 95 H ALA 95 7.592 -7.619 -1.191 738 HA ALA 95 HA ALA 95 9.108 -5.408 -0.001 739 HB1 ALA 95 1HB ALA 95 10.123 -7.150 1.400 740 HB2 ALA 95 2HB ALA 95 8.348 -7.227 1.510 741 HB3 ALA 95 3HB ALA 95 9.230 -8.408 0.512 742 H VAL 96 H VAL 96 10.909 -4.726 -1.042 743 HA VAL 96 HA VAL 96 12.124 -6.619 -2.934 744 HB VAL 96 HB VAL 96 12.102 -3.598 -3.052 745 HG11 VAL 96 1HG1 VAL 96 13.707 -3.836 -4.581 746 HG12 VAL 96 2HG1 VAL 96 13.646 -5.607 -4.414 747 HG13 VAL 96 3HG1 VAL 96 12.583 -4.786 -5.582 748 HG21 VAL 96 1HG2 VAL 96 10.357 -3.667 -4.618 749 HG22 VAL 96 2HG2 VAL 96 10.536 -5.418 -4.884 750 HG23 VAL 96 3HG2 VAL 96 9.845 -4.816 -3.358 751 H ASN 97 H ASN 97 14.272 -7.103 -2.673 752 HA ASN 97 HA ASN 97 15.756 -5.398 -0.856 753 HB2 ASN 97 1HB ASN 97 16.643 -7.329 0.367 754 HB3 ASN 97 2HB ASN 97 14.893 -7.424 0.404 755 HD21 ASN 97 1HD2 ASN 97 16.206 -9.654 0.922 756 HD22 ASN 97 2HD2 ASN 97 16.135 -10.797 -0.377 757 H ASP 98 H ASP 98 18.226 -6.016 -1.022 758 HA ASP 98 HA ASP 98 19.183 -5.670 -3.439 759 HB2 ASP 98 1HB ASP 98 20.497 -5.876 -1.286 760 HB3 ASP 98 2HB ASP 98 20.398 -7.620 -1.425 761 H VAL 99 H VAL 99 18.422 -8.881 -1.920 762 HA VAL 99 HA VAL 99 19.322 -10.550 -3.893 763 HB VAL 99 HB VAL 99 16.792 -10.893 -2.276 764 HG11 VAL 99 1HG1 VAL 99 17.368 -13.288 -2.365 765 HG12 VAL 99 2HG1 VAL 99 17.127 -12.605 -3.991 766 HG13 VAL 99 3HG1 VAL 99 18.774 -12.908 -3.388 767 HG21 VAL 99 1HG2 VAL 99 19.676 -10.933 -1.470 768 HG22 VAL 99 2HG2 VAL 99 18.242 -10.383 -0.570 769 HG23 VAL 99 3HG2 VAL 99 18.574 -12.124 -0.738 770 H GLY 100 H GLY 100 15.923 -9.294 -3.544 771 HA2 GLY 100 1HA GLY 100 15.538 -8.432 -6.109 772 HA3 GLY 100 2HA GLY 100 15.229 -10.155 -6.190 773 H LYS 101 H LYS 101 13.005 -9.111 -6.797 774 HA LYS 101 HA LYS 101 11.493 -7.985 -4.682 775 HB2 LYS 101 1HB LYS 101 11.185 -7.701 -7.212 776 HB3 LYS 101 2HB LYS 101 10.402 -9.268 -7.193 777 HG2 LYS 101 1HG LYS 101 8.641 -8.506 -5.757 778 HG3 LYS 101 2HG LYS 101 9.537 -7.083 -5.265 779 HD2 LYS 101 1HD LYS 101 8.727 -7.510 -8.167 780 HD3 LYS 101 2HD LYS 101 7.625 -6.781 -7.016 781 HE2 LYS 101 1HE LYS 101 8.735 -4.789 -7.061 782 HE3 LYS 101 2HE LYS 101 10.292 -5.561 -6.836 783 HZ1 LYS 101 1HZ LYS 101 8.868 -5.488 -9.404 784 HZ2 LYS 101 2HZ LYS 101 10.041 -4.436 -8.977 785 HZ3 LYS 101 3HZ LYS 101 10.390 -6.022 -9.149 786 H GLY 102 H GLY 102 9.821 -8.934 -3.418 787 HA2 GLY 102 1HA GLY 102 10.205 -11.824 -3.027 788 HA3 GLY 102 2HA GLY 102 9.560 -10.681 -1.865 789 H GLN 103 H GLN 103 7.357 -10.506 -1.651 790 HA GLN 103 HA GLN 103 5.775 -11.424 -3.914 791 HB2 GLN 103 1HB GLN 103 5.665 -12.366 -1.048 792 HB3 GLN 103 2HB GLN 103 4.181 -12.321 -1.978 793 HG2 GLN 103 1HG GLN 103 4.761 -14.173 -3.161 794 HG3 GLN 103 2HG GLN 103 6.329 -13.505 -3.569 795 HE21 GLN 103 1HE2 GLN 103 7.984 -13.515 -1.837 796 HE22 GLN 103 2HE2 GLN 103 8.084 -14.890 -0.788 797 H PHE 104 H PHE 104 3.506 -10.569 -3.893 798 HA PHE 104 HA PHE 104 3.503 -7.924 -2.656 799 HB2 PHE 104 1HB PHE 104 2.031 -9.332 -4.950 800 HB3 PHE 104 2HB PHE 104 1.486 -7.774 -4.361 801 HD1 PHE 104 1HD PHE 104 4.488 -9.482 -5.746 802 HD2 PHE 104 2HD PHE 104 2.417 -5.816 -5.214 803 HE1 PHE 104 1HE PHE 104 6.129 -8.335 -7.260 804 HE2 PHE 104 2HE PHE 104 4.058 -4.670 -6.729 805 HZ PHE 104 HZ PHE 104 5.894 -5.943 -7.734 806 H SER 105 H SER 105 1.774 -7.189 -1.358 807 HA SER 105 HA SER 105 0.447 -9.262 0.032 808 HB2 SER 105 1HB SER 105 -0.675 -7.203 1.177 809 HB3 SER 105 2HB SER 105 1.046 -7.447 1.400 810 HG SER 105 HG SER 105 -0.260 -5.596 -0.396 811 H LYS 106 H LYS 106 -1.890 -9.573 0.203 812 HA LYS 106 HA LYS 106 -3.219 -9.586 -2.205 813 HB2 LYS 106 1HB LYS 106 -3.978 -9.940 0.660 814 HB3 LYS 106 2HB LYS 106 -5.277 -9.692 -0.489 815 HG2 LYS 106 1HG LYS 106 -3.086 -11.706 -1.086 816 HG3 LYS 106 2HG LYS 106 -4.411 -12.141 -0.025 817 HD2 LYS 106 1HD LYS 106 -5.801 -12.451 -1.790 818 HD3 LYS 106 2HD LYS 106 -5.493 -10.829 -2.378 819 HE2 LYS 106 1HE LYS 106 -3.157 -12.480 -2.899 820 HE3 LYS 106 2HE LYS 106 -4.582 -13.305 -3.499 821 HZ1 LYS 106 1HZ LYS 106 -4.089 -10.476 -4.074 822 HZ2 LYS 106 2HZ LYS 106 -3.500 -11.666 -5.024 823 HZ3 LYS 106 3HZ LYS 106 -5.113 -11.494 -4.838 824 H ASP 107 H ASP 107 -5.283 -8.400 -2.778 825 HA ASP 107 HA ASP 107 -4.707 -5.678 -2.859 826 HB2 ASP 107 1HB ASP 107 -7.302 -7.187 -3.426 827 HB3 ASP 107 2HB ASP 107 -7.033 -5.509 -3.854 828 H THR 108 H THR 108 -5.018 -4.229 -1.163 829 HA THR 108 HA THR 108 -6.235 -4.821 1.224 830 HB THR 108 HB THR 108 -6.279 -2.249 1.418 831 HG1 THR 108 1HG THR 108 -6.612 -1.700 -0.781 832 HG21 THR 108 1HG2 THR 108 -4.033 -2.315 1.858 833 HG22 THR 108 2HG2 THR 108 -4.045 -3.985 1.242 834 HG23 THR 108 3HG2 THR 108 -3.656 -2.634 0.149 835 H GLU 109 H GLU 109 -8.238 -4.450 2.199 836 HA GLU 109 HA GLU 109 -10.417 -5.154 0.901 837 HB2 GLU 109 1HB GLU 109 -9.833 -3.958 3.413 838 HB3 GLU 109 2HB GLU 109 -11.165 -3.030 2.753 839 HG2 GLU 109 1HG GLU 109 -12.330 -5.268 2.249 840 HG3 GLU 109 2HG GLU 109 -11.068 -6.048 3.182 841 H ARG 110 H ARG 110 -11.791 -4.377 -0.662 842 HA ARG 110 HA ARG 110 -11.214 -2.424 -2.306 843 HB2 ARG 110 1HB ARG 110 -13.331 -4.073 -2.084 844 HB3 ARG 110 2HB ARG 110 -14.127 -2.620 -1.515 845 HG2 ARG 110 1HG ARG 110 -13.215 -1.450 -3.633 846 HG3 ARG 110 2HG ARG 110 -12.763 -3.043 -4.208 847 HD2 ARG 110 1HD ARG 110 -15.535 -3.007 -3.218 848 HD3 ARG 110 2HD ARG 110 -15.292 -1.817 -4.480 849 HE ARG 110 HE ARG 110 -14.154 -4.464 -5.082 850 HH11 ARG 110 2HH2 ARG 110 -16.968 -2.368 -5.349 851 HH12 ARG 110 1HH2 ARG 110 -17.644 -3.232 -6.689 852 HH21 ARG 110 2HH1 ARG 110 -15.046 -5.605 -6.850 853 HH22 ARG 110 1HH1 ARG 110 -16.543 -5.086 -7.548 854 H VAL 111 H VAL 111 -10.387 -0.443 -1.552 855 HA VAL 111 HA VAL 111 -11.891 1.000 0.462 856 HB VAL 111 HB VAL 111 -9.311 1.650 -0.977 857 HG11 VAL 111 1HG1 VAL 111 -10.866 3.012 1.196 858 HG12 VAL 111 2HG1 VAL 111 -9.088 3.067 1.243 859 HG13 VAL 111 3HG1 VAL 111 -9.961 3.707 -0.170 860 HG21 VAL 111 1HG2 VAL 111 -8.651 -0.175 0.232 861 HG22 VAL 111 2HG2 VAL 111 -8.500 1.064 1.501 862 HG23 VAL 111 3HG2 VAL 111 -9.939 0.019 1.445 863 H SER 112 H SER 112 -13.494 2.389 -0.056 864 HA SER 112 HA SER 112 -13.502 3.361 -2.799 865 HB2 SER 112 1HB SER 112 -15.674 2.796 -0.774 866 HB3 SER 112 2HB SER 112 -15.980 3.963 -2.045 867 HG SER 112 HG SER 112 -16.511 2.222 -3.187 868 H LEU 113 H LEU 113 -13.510 5.595 -3.223 869 HA LEU 113 HA LEU 113 -12.953 7.263 -0.905 870 HB2 LEU 113 1HB LEU 113 -11.901 7.061 -3.494 871 HB3 LEU 113 2HB LEU 113 -12.792 8.570 -3.480 872 HG LEU 113 HG LEU 113 -11.374 8.662 -1.095 873 HD11 LEU 113 1HD1 LEU 113 -9.034 8.185 -1.731 874 HD12 LEU 113 2HD1 LEU 113 -10.047 6.723 -1.665 875 HD13 LEU 113 3HD1 LEU 113 -9.616 7.438 -3.238 876 HD21 LEU 113 1HD2 LEU 113 -11.226 10.677 -2.030 877 HD22 LEU 113 2HD2 LEU 113 -9.808 10.058 -2.910 878 HD23 LEU 113 3HD2 LEU 113 -11.416 10.019 -3.673 879 HA PRO 114 HA PRO 114 -16.907 9.008 -1.053 880 HB2 PRO 114 1HB PRO 114 -16.502 11.206 0.519 881 HB3 PRO 114 2HB PRO 114 -16.795 9.605 1.168 882 HG2 PRO 114 1HG PRO 114 -14.255 11.111 1.025 883 HG3 PRO 114 2HG PRO 114 -14.657 9.728 2.025 884 HD2 PRO 114 1HD PRO 114 -13.057 9.717 -0.356 885 HD3 PRO 114 2HD PRO 114 -13.555 8.321 0.578 886 H GLU 115 H GLU 115 -18.239 10.534 -2.064 887 HA GLU 115 HA GLU 115 -16.887 11.757 -4.209 888 HB2 GLU 115 1HB GLU 115 -19.397 10.848 -3.904 889 HB3 GLU 115 2HB GLU 115 -19.708 12.520 -3.482 890 HG2 GLU 115 1HG GLU 115 -18.836 13.307 -5.619 891 HG3 GLU 115 2HG GLU 115 -18.219 11.717 -6.020 892 H SER 116 H SER 116 -16.216 13.880 -4.493 893 HA SER 116 HA SER 116 -16.270 15.486 -2.115 894 HB2 SER 116 1HB SER 116 -14.437 15.095 -4.211 895 HB3 SER 116 2HB SER 116 -15.055 16.709 -4.499 896 HG SER 116 HG SER 116 -13.517 17.192 -3.048 897 H GLY 117 H GLY 117 -16.999 15.982 -5.654 898 HA2 GLY 117 1HA GLY 117 -19.507 17.191 -5.182 899 HA3 GLY 117 2HA GLY 117 -18.291 18.436 -5.385 900 HA PRO 118 HA PRO 118 -19.576 16.597 -9.476 901 HB2 PRO 118 1HB PRO 118 -21.642 18.210 -10.250 902 HB3 PRO 118 2HB PRO 118 -21.878 16.629 -9.531 903 HG2 PRO 118 1HG PRO 118 -22.246 19.296 -8.309 904 HG3 PRO 118 2HG PRO 118 -22.867 17.747 -7.772 905 HD2 PRO 118 1HD PRO 118 -20.651 19.187 -6.657 906 HD3 PRO 118 2HD PRO 118 -21.200 17.587 -6.197 907 H SER 119 H SER 119 -18.767 17.235 -11.464 908 HA SER 119 HA SER 119 -17.381 19.747 -11.210 909 HB2 SER 119 1HB SER 119 -16.414 17.459 -12.079 910 HB3 SER 119 2HB SER 119 -17.199 17.877 -13.589 911 HG SER 119 HG SER 119 -14.930 19.017 -12.355 912 H SER 120 H SER 120 -19.422 18.034 -13.698 913 HA SER 120 HA SER 120 -19.988 20.603 -14.878 914 HB2 SER 120 1HB SER 120 -20.446 17.724 -15.708 915 HB3 SER 120 2HB SER 120 -21.307 19.017 -16.519 916 HG SER 120 HG SER 120 -19.258 19.989 -17.071 917 H GLY 121 H GLY 121 -21.784 21.752 -14.274 918 HA2 GLY 121 1HA GLY 121 -24.223 20.287 -13.579 919 HA3 GLY 121 2HA GLY 121 -23.532 21.346 -12.365 Start of MODEL 13 1 H1 GLY 1 H GLY 1 13.052 -27.108 -15.900 2 HA2 GLY 1 1HA GLY 1 15.750 -26.591 -15.991 3 HA3 GLY 1 2HA GLY 1 14.985 -25.045 -16.305 4 H SER 2 H SER 2 16.086 -27.144 -13.880 5 HA SER 2 HA SER 2 15.991 -27.123 -11.713 6 HB2 SER 2 1HB SER 2 16.427 -24.767 -11.710 7 HB3 SER 2 2HB SER 2 14.793 -24.377 -12.210 8 HG SER 2 HG SER 2 15.790 -24.688 -9.675 9 H SER 3 H SER 3 14.682 -28.317 -10.349 10 HA SER 3 HA SER 3 12.040 -27.747 -9.862 11 HB2 SER 3 1HB SER 3 11.470 -28.418 -12.107 12 HB3 SER 3 2HB SER 3 12.481 -29.847 -12.017 13 HG SER 3 HG SER 3 9.880 -29.680 -11.444 14 H GLY 4 H GLY 4 11.087 -29.341 -8.343 15 HA2 GLY 4 1HA GLY 4 11.510 -31.667 -7.465 16 HA3 GLY 4 2HA GLY 4 13.160 -31.127 -7.225 17 H SER 5 H SER 5 12.493 -31.810 -4.910 18 HA SER 5 HA SER 5 10.639 -30.561 -3.425 19 HB2 SER 5 1HB SER 5 12.054 -31.064 -1.470 20 HB3 SER 5 2HB SER 5 12.083 -32.393 -2.611 21 HG SER 5 HG SER 5 14.104 -30.321 -2.457 22 H SER 6 H SER 6 11.155 -28.890 -1.539 23 HA SER 6 HA SER 6 12.878 -26.801 -2.596 24 HB2 SER 6 1HB SER 6 9.943 -26.685 -2.083 25 HB3 SER 6 2HB SER 6 10.856 -25.330 -1.449 26 HG SER 6 HG SER 6 11.846 -25.668 -3.881 27 H GLY 7 H GLY 7 13.471 -25.156 -0.863 28 HA2 GLY 7 1HA GLY 7 12.876 -25.475 1.838 29 HA3 GLY 7 2HA GLY 7 14.280 -26.470 1.506 30 H ARG 8 H ARG 8 13.597 -23.633 2.833 31 HA ARG 8 HA ARG 8 15.400 -22.008 1.310 32 HB2 ARG 8 1HB ARG 8 14.028 -21.388 3.973 33 HB3 ARG 8 2HB ARG 8 14.780 -20.223 2.902 34 HG2 ARG 8 1HG ARG 8 12.705 -19.957 1.998 35 HG3 ARG 8 2HG ARG 8 13.004 -21.479 1.181 36 HD2 ARG 8 1HD ARG 8 11.188 -22.307 2.273 37 HD3 ARG 8 2HD ARG 8 12.149 -22.279 3.738 38 HE ARG 8 HE ARG 8 10.774 -20.560 4.485 39 HH11 ARG 8 2HH2 ARG 8 10.902 -20.418 0.972 40 HH12 ARG 8 1HH2 ARG 8 9.826 -19.065 0.860 41 HH21 ARG 8 2HH1 ARG 8 9.354 -18.776 4.338 42 HH22 ARG 8 1HH1 ARG 8 8.939 -18.125 2.788 43 H SER 9 H SER 9 17.247 -23.593 1.736 44 HA SER 9 HA SER 9 18.794 -22.599 3.870 45 HB2 SER 9 1HB SER 9 19.070 -24.609 5.182 46 HB3 SER 9 2HB SER 9 17.351 -24.287 5.071 47 HG SER 9 HG SER 9 17.055 -26.136 4.026 48 H ALA 10 H ALA 10 21.055 -23.534 3.786 49 HA ALA 10 HA ALA 10 21.703 -25.324 1.670 50 HB1 ALA 10 1HB ALA 10 22.142 -22.341 1.329 51 HB2 ALA 10 2HB ALA 10 23.130 -23.550 0.474 52 HB3 ALA 10 3HB ALA 10 21.372 -23.483 0.201 53 H HIS 11 H HIS 11 23.116 -22.480 3.453 54 HA HIS 11 HA HIS 11 24.513 -24.019 5.270 55 HB2 HIS 11 1HB HIS 11 25.978 -24.961 3.786 56 HB3 HIS 11 2HB HIS 11 25.899 -23.617 2.664 57 HD1 HIS 11 1HD HIS 11 27.072 -23.853 6.322 58 HD2 HIS 11 2HD HIS 11 28.365 -22.473 2.577 59 HE1 HIS 11 1HE HIS 11 29.367 -22.804 6.700 60 H LEU 12 H LEU 12 25.255 -21.182 3.109 61 HA LEU 12 HA LEU 12 25.474 -19.585 5.561 62 HB2 LEU 12 1HB LEU 12 27.306 -19.955 3.560 63 HB3 LEU 12 2HB LEU 12 26.519 -18.476 3.049 64 HG LEU 12 HG LEU 12 26.947 -17.819 5.614 65 HD11 LEU 12 1HD1 LEU 12 29.462 -19.364 5.103 66 HD12 LEU 12 2HD1 LEU 12 28.769 -18.776 6.633 67 HD13 LEU 12 3HD1 LEU 12 28.057 -20.190 5.820 68 HD21 LEU 12 1HD2 LEU 12 27.717 -16.321 4.050 69 HD22 LEU 12 2HD2 LEU 12 29.248 -16.924 4.729 70 HD23 LEU 12 3HD2 LEU 12 28.660 -17.548 3.170 71 H ARG 13 H ARG 13 24.870 -17.162 5.119 72 HA ARG 13 HA ARG 13 22.229 -17.004 4.783 73 HB2 ARG 13 1HB ARG 13 24.355 -14.907 4.128 74 HB3 ARG 13 2HB ARG 13 22.647 -14.528 4.222 75 HG2 ARG 13 1HG ARG 13 22.681 -14.501 6.497 76 HG3 ARG 13 2HG ARG 13 23.491 -16.053 6.577 77 HD2 ARG 13 1HD ARG 13 25.686 -14.920 6.112 78 HD3 ARG 13 2HD ARG 13 24.868 -13.371 6.062 79 HE ARG 13 HE ARG 13 24.100 -14.403 8.515 80 HH11 ARG 13 2HH2 ARG 13 27.212 -13.868 6.963 81 HH12 ARG 13 1HH2 ARG 13 28.057 -13.618 8.454 82 HH21 ARG 13 2HH1 ARG 13 25.213 -14.074 10.483 83 HH22 ARG 13 1HH1 ARG 13 26.912 -13.736 10.470 84 H VAL 14 H VAL 14 20.780 -17.065 3.071 85 HA VAL 14 HA VAL 14 21.961 -16.969 0.383 86 HB VAL 14 HB VAL 14 20.742 -19.059 1.473 87 HG11 VAL 14 1HG1 VAL 14 18.427 -17.565 0.197 88 HG12 VAL 14 2HG1 VAL 14 18.392 -19.190 0.924 89 HG13 VAL 14 3HG1 VAL 14 18.664 -17.761 1.951 90 HG21 VAL 14 1HG2 VAL 14 20.454 -19.926 -0.694 91 HG22 VAL 14 2HG2 VAL 14 20.050 -18.333 -1.378 92 HG23 VAL 14 3HG2 VAL 14 21.721 -18.690 -0.879 93 H ARG 15 H ARG 15 21.247 -15.436 -1.048 94 HA ARG 15 HA ARG 15 19.748 -13.330 -0.003 95 HB2 ARG 15 1HB ARG 15 20.993 -14.041 -2.638 96 HB3 ARG 15 2HB ARG 15 19.696 -12.866 -2.710 97 HG2 ARG 15 1HG ARG 15 20.926 -11.619 -0.791 98 HG3 ARG 15 2HG ARG 15 22.287 -12.673 -1.121 99 HD2 ARG 15 1HD ARG 15 21.377 -11.651 -3.655 100 HD3 ARG 15 2HD ARG 15 21.468 -10.291 -2.553 101 HE ARG 15 HE ARG 15 23.805 -10.528 -2.461 102 HH11 ARG 15 2HH2 ARG 15 22.382 -13.386 -3.941 103 HH12 ARG 15 1HH2 ARG 15 23.905 -14.041 -4.443 104 HH21 ARG 15 2HH1 ARG 15 25.815 -11.392 -3.123 105 HH22 ARG 15 1HH1 ARG 15 25.871 -12.900 -3.974 106 H GLN 16 H GLN 16 17.827 -14.743 0.685 107 HA GLN 16 HA GLN 16 16.149 -15.511 -1.535 108 HB2 GLN 16 1HB GLN 16 16.508 -17.035 0.447 109 HB3 GLN 16 2HB GLN 16 15.687 -15.864 1.460 110 HG2 GLN 16 1HG GLN 16 13.980 -17.413 0.866 111 HG3 GLN 16 2HG GLN 16 13.697 -16.042 -0.188 112 HE21 GLN 16 1HE2 GLN 16 15.991 -18.772 -0.197 113 HE22 GLN 16 2HE2 GLN 16 15.640 -19.349 -1.792 114 H LEU 17 H LEU 17 14.138 -14.550 -2.013 115 HA LEU 17 HA LEU 17 13.867 -11.853 -1.432 116 HB2 LEU 17 1HB LEU 17 11.791 -13.841 -2.366 117 HB3 LEU 17 2HB LEU 17 11.627 -12.098 -2.427 118 HG LEU 17 HG LEU 17 12.336 -12.353 -4.542 119 HD11 LEU 17 1HD1 LEU 17 14.159 -11.093 -3.760 120 HD12 LEU 17 2HD1 LEU 17 14.920 -12.505 -2.989 121 HD13 LEU 17 3HD1 LEU 17 14.879 -12.374 -4.764 122 HD21 LEU 17 1HD2 LEU 17 13.074 -15.037 -3.600 123 HD22 LEU 17 2HD2 LEU 17 12.318 -14.514 -5.124 124 HD23 LEU 17 3HD2 LEU 17 14.085 -14.423 -4.930 125 HA PRO 18 HA PRO 18 11.974 -11.836 2.448 126 HB2 PRO 18 1HB PRO 18 10.778 -9.379 2.435 127 HB3 PRO 18 2HB PRO 18 12.483 -9.613 2.763 128 HG2 PRO 18 1HG PRO 18 11.192 -8.579 0.313 129 HG3 PRO 18 2HG PRO 18 12.862 -8.427 0.822 130 HD2 PRO 18 1HD PRO 18 11.833 -10.208 -1.177 131 HD3 PRO 18 2HD PRO 18 13.481 -10.135 -0.586 132 H HIS 19 H HIS 19 9.728 -11.032 3.559 133 HA HIS 19 HA HIS 19 7.811 -12.613 2.039 134 HB2 HIS 19 1HB HIS 19 7.994 -11.821 4.950 135 HB3 HIS 19 2HB HIS 19 6.553 -12.544 4.263 136 HD1 HIS 19 1HD HIS 19 7.995 -14.067 6.468 137 HD2 HIS 19 2HD HIS 19 8.860 -14.573 2.395 138 HE1 HIS 19 1HE HIS 19 9.075 -16.368 6.247 139 H ALA 20 H ALA 20 5.666 -11.834 1.615 140 HA ALA 20 HA ALA 20 5.582 -9.118 0.912 141 HB1 ALA 20 1HB ALA 20 4.203 -10.396 -0.414 142 HB2 ALA 20 2HB ALA 20 3.726 -11.468 0.925 143 HB3 ALA 20 3HB ALA 20 3.001 -9.850 0.780 144 HA PRO 21 HA PRO 21 3.973 -7.264 4.473 145 HB2 PRO 21 1HB PRO 21 2.245 -5.376 3.514 146 HB3 PRO 21 2HB PRO 21 3.985 -5.166 3.524 147 HG2 PRO 21 1HG PRO 21 2.204 -5.774 1.244 148 HG3 PRO 21 2HG PRO 21 3.842 -5.150 1.222 149 HD2 PRO 21 1HD PRO 21 3.023 -7.839 0.655 150 HD3 PRO 21 2HD PRO 21 4.668 -7.242 0.747 151 H GLU 22 H GLU 22 2.818 -8.148 6.055 152 HA GLU 22 HA GLU 22 0.363 -9.377 5.222 153 HB2 GLU 22 1HB GLU 22 2.239 -9.608 7.502 154 HB3 GLU 22 2HB GLU 22 0.556 -9.748 7.970 155 HG2 GLU 22 1HG GLU 22 0.397 -11.387 5.883 156 HG3 GLU 22 2HG GLU 22 2.138 -11.486 6.058 157 H HIS 23 H HIS 23 -1.490 -9.171 7.088 158 HA HIS 23 HA HIS 23 -3.175 -7.790 7.559 159 HB2 HIS 23 1HB HIS 23 -1.043 -7.589 9.405 160 HB3 HIS 23 2HB HIS 23 -1.681 -5.966 9.232 161 HD1 HIS 23 1HD HIS 23 -4.553 -6.015 9.329 162 HD2 HIS 23 2HD HIS 23 -2.362 -8.972 11.340 163 HE1 HIS 23 1HE HIS 23 -6.118 -6.987 11.094 164 HA PRO 24 HA PRO 24 -1.786 -4.402 4.772 165 HB2 PRO 24 1HB PRO 24 -2.895 -5.230 2.416 166 HB3 PRO 24 2HB PRO 24 -1.215 -5.502 2.832 167 HG2 PRO 24 1HG PRO 24 -3.457 -7.429 2.817 168 HG3 PRO 24 2HG PRO 24 -1.734 -7.749 2.811 169 HD2 PRO 24 1HD PRO 24 -3.513 -7.973 5.050 170 HD3 PRO 24 2HD PRO 24 -1.773 -8.181 5.069 171 H VAL 25 H VAL 25 -3.231 -3.413 6.373 172 HA VAL 25 HA VAL 25 -5.967 -3.292 5.362 173 HB VAL 25 HB VAL 25 -4.999 -2.022 7.897 174 HG11 VAL 25 1HG1 VAL 25 -7.402 -1.924 6.829 175 HG12 VAL 25 2HG1 VAL 25 -7.561 -3.548 7.540 176 HG13 VAL 25 3HG1 VAL 25 -7.202 -2.151 8.583 177 HG21 VAL 25 1HG2 VAL 25 -5.775 -4.400 8.859 178 HG22 VAL 25 2HG2 VAL 25 -5.112 -4.942 7.299 179 HG23 VAL 25 3HG2 VAL 25 -4.083 -4.041 8.438 180 H ALA 26 H ALA 26 -6.739 -1.532 4.291 181 HA ALA 26 HA ALA 26 -4.995 0.837 4.283 182 HB1 ALA 26 1HB ALA 26 -5.745 1.218 1.997 183 HB2 ALA 26 2HB ALA 26 -5.109 -0.439 2.131 184 HB3 ALA 26 3HB ALA 26 -6.867 -0.160 2.098 185 H THR 27 H THR 27 -5.853 2.604 5.248 186 HA THR 27 HA THR 27 -8.793 2.725 5.423 187 HB THR 27 HB THR 27 -7.953 4.199 7.550 188 HG1 THR 27 1HG THR 27 -6.036 2.025 7.094 189 HG21 THR 27 1HG2 THR 27 -7.860 1.142 7.627 190 HG22 THR 27 2HG2 THR 27 -8.248 2.241 8.972 191 HG23 THR 27 3HG2 THR 27 -9.382 2.064 7.612 192 H LEU 28 H LEU 28 -9.804 4.769 5.206 193 HA LEU 28 HA LEU 28 -8.556 6.391 3.269 194 HB2 LEU 28 1HB LEU 28 -11.138 6.148 4.587 195 HB3 LEU 28 2HB LEU 28 -10.690 7.823 4.333 196 HG LEU 28 HG LEU 28 -10.790 5.698 2.173 197 HD11 LEU 28 1HD1 LEU 28 -12.691 8.020 2.471 198 HD12 LEU 28 2HD1 LEU 28 -12.852 6.557 1.470 199 HD13 LEU 28 3HD1 LEU 28 -12.997 6.445 3.240 200 HD21 LEU 28 1HD2 LEU 28 -10.718 8.607 1.540 201 HD22 LEU 28 2HD2 LEU 28 -9.204 7.839 2.073 202 HD23 LEU 28 3HD2 LEU 28 -10.063 7.215 0.645 203 H SER 29 H SER 29 -8.732 8.976 3.738 204 HA SER 29 HA SER 29 -7.081 9.319 6.115 205 HB2 SER 29 1HB SER 29 -7.132 10.732 3.430 206 HB3 SER 29 2HB SER 29 -6.397 11.496 4.825 207 HG SER 29 HG SER 29 -4.677 10.257 4.572 208 H THR 30 H THR 30 -8.530 9.922 7.732 209 HA THR 30 HA THR 30 -10.769 11.609 7.149 210 HB THR 30 HB THR 30 -11.145 11.348 9.599 211 HG1 THR 30 1HG THR 30 -9.392 10.399 10.801 212 HG21 THR 30 1HG2 THR 30 -11.773 9.346 8.301 213 HG22 THR 30 2HG2 THR 30 -10.076 8.812 8.253 214 HG23 THR 30 3HG2 THR 30 -10.962 8.825 9.797 215 H VAL 31 H VAL 31 -7.476 12.238 7.382 216 HA VAL 31 HA VAL 31 -7.999 14.910 8.480 217 HB VAL 31 HB VAL 31 -5.634 15.002 8.972 218 HG11 VAL 31 1HG1 VAL 31 -6.657 12.332 9.973 219 HG12 VAL 31 2HG1 VAL 31 -5.573 13.479 10.797 220 HG13 VAL 31 3HG1 VAL 31 -7.287 13.892 10.553 221 HG21 VAL 31 1HG2 VAL 31 -4.616 13.780 7.212 222 HG22 VAL 31 2HG2 VAL 31 -4.258 12.875 8.702 223 HG23 VAL 31 3HG2 VAL 31 -5.533 12.305 7.600 224 H GLU 32 H GLU 32 -6.190 13.101 5.906 225 HA GLU 32 HA GLU 32 -6.052 15.585 4.427 226 HB2 GLU 32 1HB GLU 32 -4.298 13.372 4.747 227 HB3 GLU 32 2HB GLU 32 -4.844 13.297 3.083 228 HG2 GLU 32 1HG GLU 32 -3.692 15.792 4.420 229 HG3 GLU 32 2HG GLU 32 -2.785 14.711 3.380 230 H ARG 33 H ARG 33 -7.451 16.032 2.773 231 HA ARG 33 HA ARG 33 -9.475 14.179 2.204 232 HB2 ARG 33 1HB ARG 33 -8.718 16.948 1.317 233 HB3 ARG 33 2HB ARG 33 -9.753 16.051 0.224 234 HG2 ARG 33 1HG ARG 33 -10.347 16.400 3.199 235 HG3 ARG 33 2HG ARG 33 -10.989 17.454 1.955 236 HD2 ARG 33 1HD ARG 33 -12.090 15.498 0.853 237 HD3 ARG 33 2HD ARG 33 -11.432 14.430 2.078 238 HE ARG 33 HE ARG 33 -12.802 16.460 3.480 239 HH11 ARG 33 2HH2 ARG 33 -13.595 13.943 1.152 240 HH12 ARG 33 1HH2 ARG 33 -15.218 13.747 1.724 241 HH21 ARG 33 2HH1 ARG 33 -14.944 16.201 4.235 242 HH22 ARG 33 1HH1 ARG 33 -15.990 15.040 3.489 243 H ARG 34 H ARG 34 -9.824 12.908 0.311 244 HA ARG 34 HA ARG 34 -9.306 11.719 -1.416 245 HB2 ARG 34 1HB ARG 34 -7.520 14.067 -2.233 246 HB3 ARG 34 2HB ARG 34 -8.023 12.773 -3.303 247 HG2 ARG 34 1HG ARG 34 -10.467 13.440 -2.649 248 HG3 ARG 34 2HG ARG 34 -9.759 14.909 -2.009 249 HD2 ARG 34 1HD ARG 34 -8.798 15.467 -4.213 250 HD3 ARG 34 2HD ARG 34 -9.333 13.935 -4.875 251 HE ARG 34 HE ARG 34 -11.665 15.103 -3.880 252 HH11 ARG 34 2HH2 ARG 34 -9.187 16.046 -6.193 253 HH12 ARG 34 1HH2 ARG 34 -10.262 17.017 -7.143 254 HH21 ARG 34 2HH1 ARG 34 -13.084 16.385 -5.132 255 HH22 ARG 34 1HH1 ARG 34 -12.493 17.212 -6.535 256 H ALA 35 H ALA 35 -7.801 11.233 0.960 257 HA ALA 35 HA ALA 35 -5.323 10.220 -0.228 258 HB1 ALA 35 1HB ALA 35 -5.501 11.487 2.531 259 HB2 ALA 35 2HB ALA 35 -4.039 10.928 1.682 260 HB3 ALA 35 3HB ALA 35 -4.926 12.351 1.085 261 H ILE 36 H ILE 36 -4.544 8.252 0.781 262 HA ILE 36 HA ILE 36 -6.471 7.027 2.615 263 HB ILE 36 HB ILE 36 -5.336 5.750 0.124 264 HG12 ILE 36 1HG1 ILE 36 -8.205 6.459 0.803 265 HG13 ILE 36 2HG1 ILE 36 -7.174 7.394 -0.262 266 HG21 ILE 36 1HG2 ILE 36 -5.839 3.744 0.938 267 HG22 ILE 36 2HG2 ILE 36 -6.012 4.520 2.531 268 HG23 ILE 36 3HG2 ILE 36 -7.440 4.289 1.493 269 HD11 ILE 36 1HD1 ILE 36 -6.932 5.493 -1.797 270 HD12 ILE 36 2HD1 ILE 36 -7.834 4.442 -0.679 271 HD13 ILE 36 3HD1 ILE 36 -8.661 5.789 -1.496 272 H ASN 37 H ASN 37 -5.503 6.200 4.394 273 HA ASN 37 HA ASN 37 -2.626 6.193 4.378 274 HB2 ASN 37 1HB ASN 37 -4.802 6.292 6.428 275 HB3 ASN 37 2HB ASN 37 -3.389 5.380 6.920 276 HD21 ASN 37 1HD2 ASN 37 -4.652 8.136 7.488 277 HD22 ASN 37 2HD2 ASN 37 -3.317 9.239 7.459 278 H LEU 38 H LEU 38 -1.588 4.263 3.857 279 HA LEU 38 HA LEU 38 -3.089 1.786 4.172 280 HB2 LEU 38 1HB LEU 38 -1.823 2.608 2.048 281 HB3 LEU 38 2HB LEU 38 -0.392 2.042 2.886 282 HG LEU 38 HG LEU 38 -1.949 -0.152 3.153 283 HD11 LEU 38 1HD1 LEU 38 -2.704 0.841 0.404 284 HD12 LEU 38 2HD1 LEU 38 -3.311 -0.582 1.284 285 HD13 LEU 38 3HD1 LEU 38 -3.758 1.054 1.823 286 HD21 LEU 38 1HD2 LEU 38 -0.098 -0.915 2.199 287 HD22 LEU 38 2HD2 LEU 38 -0.768 -0.458 0.614 288 HD23 LEU 38 3HD2 LEU 38 0.261 0.686 1.508 289 H THR 39 H THR 39 -2.314 0.007 5.394 290 HA THR 39 HA THR 39 0.087 0.419 6.976 291 HB THR 39 HB THR 39 -1.197 0.050 9.103 292 HG1 THR 39 1HG THR 39 -3.382 -0.374 8.865 293 HG21 THR 39 1HG2 THR 39 -2.469 2.316 7.485 294 HG22 THR 39 2HG2 THR 39 -2.317 2.219 9.256 295 HG23 THR 39 3HG2 THR 39 -0.866 2.442 8.249 296 H TRP 40 H TRP 40 1.245 -1.394 6.908 297 HA TRP 40 HA TRP 40 -0.256 -3.914 6.765 298 HB2 TRP 40 1HB TRP 40 1.432 -4.788 5.221 299 HB3 TRP 40 2HB TRP 40 0.500 -3.470 4.537 300 HD1 TRP 40 HD TRP 40 4.078 -4.385 5.492 301 HE1 TRP 40 1HE TRP 40 5.805 -2.557 4.692 302 HE3 TRP 40 3HE TRP 40 0.598 -0.929 4.150 303 HZ2 TRP 40 2HZ TRP 40 5.528 0.070 3.611 304 HZ3 TRP 40 3HZ TRP 40 1.410 1.241 3.231 305 HH2 TRP 40 HH TRP 40 3.781 1.766 2.953 306 H THR 41 H THR 41 1.763 -5.718 7.059 307 HA THR 41 HA THR 41 3.003 -4.876 9.591 308 HB THR 41 HB THR 41 1.991 -7.538 8.490 309 HG1 THR 41 1HG THR 41 1.642 -5.921 10.918 310 HG21 THR 41 1HG2 THR 41 4.114 -8.041 9.665 311 HG22 THR 41 2HG2 THR 41 3.641 -6.978 11.012 312 HG23 THR 41 3HG2 THR 41 2.742 -8.485 10.708 313 H LYS 42 H LYS 42 5.167 -5.635 10.088 314 HA LYS 42 HA LYS 42 6.827 -5.399 7.754 315 HB2 LYS 42 1HB LYS 42 7.131 -4.358 10.140 316 HB3 LYS 42 2HB LYS 42 7.841 -5.909 10.539 317 HG2 LYS 42 1HG LYS 42 8.723 -4.243 8.138 318 HG3 LYS 42 2HG LYS 42 9.483 -4.127 9.713 319 HD2 LYS 42 1HD LYS 42 9.603 -6.817 9.427 320 HD3 LYS 42 2HD LYS 42 9.555 -6.389 7.728 321 HE2 LYS 42 1HE LYS 42 11.898 -6.544 8.597 322 HE3 LYS 42 2HE LYS 42 11.531 -4.950 7.969 323 HZ1 LYS 42 1HZ LYS 42 11.076 -5.471 10.792 324 HZ2 LYS 42 2HZ LYS 42 12.607 -5.226 10.277 325 HZ3 LYS 42 3HZ LYS 42 11.475 -4.071 10.051 326 HA PRO 43 HA PRO 43 6.964 -9.761 7.370 327 HB2 PRO 43 1HB PRO 43 8.140 -9.828 4.904 328 HB3 PRO 43 2HB PRO 43 6.408 -9.698 5.137 329 HG2 PRO 43 1HG PRO 43 8.333 -7.605 4.328 330 HG3 PRO 43 2HG PRO 43 6.589 -7.617 4.158 331 HD2 PRO 43 1HD PRO 43 8.112 -6.168 6.109 332 HD3 PRO 43 2HD PRO 43 6.366 -6.274 6.010 333 H PHE 44 H PHE 44 8.710 -11.460 6.711 334 HA PHE 44 HA PHE 44 10.969 -10.708 8.344 335 HB2 PHE 44 1HB PHE 44 9.955 -12.914 8.665 336 HB3 PHE 44 2HB PHE 44 9.900 -13.214 6.940 337 HD1 PHE 44 2HD PHE 44 12.056 -13.153 9.903 338 HD2 PHE 44 1HD PHE 44 11.848 -14.007 5.751 339 HE1 PHE 44 2HE PHE 44 14.244 -14.374 10.045 340 HE2 PHE 44 1HE PHE 44 14.037 -15.229 5.893 341 HZ PHE 44 HZ PHE 44 15.208 -15.398 8.038 342 H ASP 45 H ASP 45 13.206 -10.947 7.656 343 HA ASP 45 HA ASP 45 13.457 -10.285 4.855 344 HB2 ASP 45 1HB ASP 45 15.580 -9.346 5.420 345 HB3 ASP 45 2HB ASP 45 14.522 -8.911 6.747 346 H GLY 46 H GLY 46 14.316 -11.797 3.403 347 HA2 GLY 46 1HA GLY 46 14.700 -14.454 4.035 348 HA3 GLY 46 2HA GLY 46 15.320 -13.644 2.610 349 H ASN 47 H ASN 47 17.080 -11.738 3.912 350 HA ASN 47 HA ASN 47 18.738 -12.952 5.759 351 HB2 ASN 47 1HB ASN 47 19.269 -13.619 2.897 352 HB3 ASN 47 2HB ASN 47 20.671 -13.013 3.756 353 HD21 ASN 47 1HD2 ASN 47 18.766 -15.672 3.076 354 HD22 ASN 47 2HD2 ASN 47 19.344 -16.787 4.269 355 H SER 48 H SER 48 18.354 -10.849 2.864 356 HA SER 48 HA SER 48 20.331 -9.022 3.903 357 HB2 SER 48 1HB SER 48 19.675 -9.780 1.334 358 HB3 SER 48 2HB SER 48 18.785 -8.277 1.471 359 HG SER 48 HG SER 48 21.520 -8.696 1.239 360 HA PRO 49 HA PRO 49 17.352 -6.246 5.436 361 HB2 PRO 49 1HB PRO 49 18.525 -3.804 5.080 362 HB3 PRO 49 2HB PRO 49 18.951 -4.891 6.388 363 HG2 PRO 49 1HG PRO 49 20.454 -4.288 3.915 364 HG3 PRO 49 2HG PRO 49 21.032 -5.017 5.400 365 HD2 PRO 49 1HD PRO 49 20.445 -6.370 2.940 366 HD3 PRO 49 2HD PRO 49 20.910 -7.111 4.459 367 H LEU 50 H LEU 50 15.625 -4.763 5.061 368 HA LEU 50 HA LEU 50 14.734 -4.975 2.392 369 HB2 LEU 50 1HB LEU 50 13.714 -3.302 4.692 370 HB3 LEU 50 2HB LEU 50 12.868 -3.577 3.182 371 HG LEU 50 HG LEU 50 13.593 -5.700 5.220 372 HD11 LEU 50 1HD1 LEU 50 10.844 -4.671 4.490 373 HD12 LEU 50 2HD1 LEU 50 11.292 -5.775 5.813 374 HD13 LEU 50 3HD1 LEU 50 11.791 -4.067 5.870 375 HD21 LEU 50 1HD2 LEU 50 13.275 -7.227 3.648 376 HD22 LEU 50 2HD2 LEU 50 11.632 -6.603 3.370 377 HD23 LEU 50 3HD2 LEU 50 13.001 -5.949 2.439 378 H ILE 51 H ILE 51 14.788 -3.539 0.687 379 HA ILE 51 HA ILE 51 16.530 -1.232 1.109 380 HB ILE 51 HB ILE 51 15.832 -2.963 -1.226 381 HG12 ILE 51 1HG1 ILE 51 18.413 -1.931 -0.018 382 HG13 ILE 51 2HG1 ILE 51 17.782 -3.563 0.071 383 HG21 ILE 51 1HG2 ILE 51 15.389 -0.870 -2.209 384 HG22 ILE 51 2HG2 ILE 51 16.746 -0.088 -1.362 385 HG23 ILE 51 3HG2 ILE 51 17.065 -1.261 -2.663 386 HD11 ILE 51 1HD1 ILE 51 18.841 -2.097 -2.371 387 HD12 ILE 51 2HD1 ILE 51 19.398 -3.639 -1.678 388 HD13 ILE 51 3HD1 ILE 51 17.834 -3.558 -2.525 389 H ARG 52 H ARG 52 13.406 -2.176 -0.478 390 HA ARG 52 HA ARG 52 12.218 0.191 0.463 391 HB2 ARG 52 1HB ARG 52 11.776 1.302 -1.672 392 HB3 ARG 52 2HB ARG 52 13.508 1.082 -1.520 393 HG2 ARG 52 1HG ARG 52 13.493 -0.825 -3.022 394 HG3 ARG 52 2HG ARG 52 11.744 -0.927 -2.984 395 HD2 ARG 52 1HD ARG 52 11.825 0.306 -4.910 396 HD3 ARG 52 2HD ARG 52 12.086 1.676 -3.848 397 HE ARG 52 HE ARG 52 14.260 1.819 -4.669 398 HH11 ARG 52 2HH2 ARG 52 13.121 -1.481 -5.108 399 HH12 ARG 52 1HH2 ARG 52 14.549 -1.999 -5.942 400 HH21 ARG 52 2HH1 ARG 52 16.144 1.137 -5.769 401 HH22 ARG 52 1HH1 ARG 52 16.279 -0.499 -6.320 402 H TYR 53 H TYR 53 10.026 0.380 -1.329 403 HA TYR 53 HA TYR 53 9.060 -2.353 -1.669 404 HB2 TYR 53 1HB TYR 53 8.103 -0.123 0.171 405 HB3 TYR 53 2HB TYR 53 6.871 -1.117 -0.580 406 HD1 TYR 53 2HD TYR 53 10.038 -1.453 1.401 407 HD2 TYR 53 1HD TYR 53 6.186 -3.074 0.485 408 HE1 TYR 53 2HE TYR 53 10.337 -3.208 3.216 409 HE2 TYR 53 1HE TYR 53 6.498 -4.824 2.302 410 HH TYR 53 HH TYR 53 9.150 -5.773 3.451 411 H ILE 54 H ILE 54 7.470 -2.573 -3.290 412 HA ILE 54 HA ILE 54 7.072 -0.123 -4.856 413 HB ILE 54 HB ILE 54 7.092 -3.020 -5.712 414 HG12 ILE 54 1HG1 ILE 54 9.067 -0.807 -6.337 415 HG13 ILE 54 2HG1 ILE 54 9.313 -2.030 -5.106 416 HG21 ILE 54 1HG2 ILE 54 6.955 -0.623 -7.538 417 HG22 ILE 54 2HG2 ILE 54 6.661 -2.339 -7.912 418 HG23 ILE 54 3HG2 ILE 54 5.492 -1.430 -6.924 419 HD11 ILE 54 1HD1 ILE 54 8.675 -3.659 -7.188 420 HD12 ILE 54 2HD1 ILE 54 9.377 -2.291 -8.087 421 HD13 ILE 54 3HD1 ILE 54 10.342 -3.132 -6.850 422 H LEU 55 H LEU 55 5.188 0.761 -4.083 423 HA LEU 55 HA LEU 55 2.971 -1.021 -3.523 424 HB2 LEU 55 1HB LEU 55 3.696 0.905 -2.049 425 HB3 LEU 55 2HB LEU 55 3.082 1.984 -3.287 426 HG LEU 55 HG LEU 55 1.636 0.352 -1.294 427 HD11 LEU 55 1HD1 LEU 55 0.186 2.214 -1.200 428 HD12 LEU 55 2HD1 LEU 55 1.826 2.879 -1.385 429 HD13 LEU 55 3HD1 LEU 55 0.728 2.819 -2.785 430 HD21 LEU 55 1HD2 LEU 55 -0.381 0.095 -2.665 431 HD22 LEU 55 2HD2 LEU 55 0.513 0.672 -4.091 432 HD23 LEU 55 3HD2 LEU 55 0.979 -0.856 -3.307 433 H GLU 56 H GLU 56 1.507 -1.578 -5.037 434 HA GLU 56 HA GLU 56 1.319 0.206 -7.337 435 HB2 GLU 56 1HB GLU 56 0.772 -2.792 -7.175 436 HB3 GLU 56 2HB GLU 56 0.573 -1.812 -8.615 437 HG2 GLU 56 1HG GLU 56 3.158 -1.152 -7.865 438 HG3 GLU 56 2HG GLU 56 3.067 -2.823 -7.343 439 H MET 57 H MET 57 -0.600 1.264 -7.621 440 HA MET 57 HA MET 57 -2.823 0.307 -6.008 441 HB2 MET 57 1HB MET 57 -2.098 2.651 -5.614 442 HB3 MET 57 2HB MET 57 -2.211 3.010 -7.326 443 HG2 MET 57 1HG MET 57 -4.735 2.253 -7.065 444 HG3 MET 57 2HG MET 57 -4.463 2.510 -5.353 445 HE1 MET 57 1HE MET 57 -3.820 5.576 -8.669 446 HE2 MET 57 2HE MET 57 -3.714 3.801 -8.752 447 HE3 MET 57 3HE MET 57 -5.306 4.598 -8.749 448 H SER 58 H SER 58 -4.836 -0.200 -6.926 449 HA SER 58 HA SER 58 -4.931 0.040 -9.830 450 HB2 SER 58 1HB SER 58 -4.843 -2.232 -9.852 451 HB3 SER 58 2HB SER 58 -5.140 -2.350 -8.129 452 HG SER 58 HG SER 58 -7.066 -2.134 -10.265 453 H GLU 59 H GLU 59 -6.630 1.319 -10.456 454 HA GLU 59 HA GLU 59 -9.020 1.197 -8.805 455 HB2 GLU 59 1HB GLU 59 -8.216 3.252 -8.047 456 HB3 GLU 59 2HB GLU 59 -7.400 3.618 -9.554 457 HG2 GLU 59 1HG GLU 59 -9.623 3.974 -10.662 458 HG3 GLU 59 2HG GLU 59 -10.429 3.627 -9.146 459 H ASN 60 H ASN 60 -10.971 1.210 -9.963 460 HA ASN 60 HA ASN 60 -12.321 1.083 -11.656 461 HB2 ASN 60 1HB ASN 60 -10.253 2.978 -12.727 462 HB3 ASN 60 2HB ASN 60 -11.275 2.224 -13.935 463 HD21 ASN 60 1HD2 ASN 60 -12.127 2.962 -10.589 464 HD22 ASN 60 2HD2 ASN 60 -13.356 4.139 -10.915 465 H ASN 61 H ASN 61 -11.460 -1.289 -11.442 466 HA ASN 61 HA ASN 61 -10.490 -3.103 -12.225 467 HB2 ASN 61 1HB ASN 61 -12.089 -1.903 -14.488 468 HB3 ASN 61 2HB ASN 61 -11.117 -3.311 -14.864 469 HD21 ASN 61 1HD2 ASN 61 -13.988 -2.142 -13.542 470 HD22 ASN 61 2HD2 ASN 61 -14.626 -3.603 -12.865 471 H ALA 62 H ALA 62 -8.647 -0.817 -12.229 472 HA ALA 62 HA ALA 62 -7.228 -1.007 -14.758 473 HB1 ALA 62 1HB ALA 62 -7.569 1.202 -13.761 474 HB2 ALA 62 2HB ALA 62 -6.790 0.667 -12.252 475 HB3 ALA 62 3HB ALA 62 -5.836 0.796 -13.750 476 HA PRO 63 HA PRO 63 -4.350 -3.845 -13.217 477 HB2 PRO 63 1HB PRO 63 -2.207 -3.372 -14.846 478 HB3 PRO 63 2HB PRO 63 -3.588 -4.334 -15.334 479 HG2 PRO 63 1HG PRO 63 -2.877 -1.576 -16.125 480 HG3 PRO 63 2HG PRO 63 -3.983 -2.690 -16.903 481 HD2 PRO 63 1HD PRO 63 -4.682 -0.448 -15.257 482 HD3 PRO 63 2HD PRO 63 -5.781 -1.630 -15.940 483 H TRP 64 H TRP 64 -2.667 -4.219 -11.767 484 HA TRP 64 HA TRP 64 -2.180 -2.288 -9.959 485 HB2 TRP 64 1HB TRP 64 -0.179 -4.388 -10.807 486 HB3 TRP 64 2HB TRP 64 -0.241 -3.562 -9.263 487 HD1 TRP 64 HD TRP 64 -1.353 -6.721 -10.787 488 HE1 TRP 64 1HE TRP 64 -3.158 -8.016 -9.363 489 HE3 TRP 64 3HE TRP 64 -2.505 -2.823 -7.732 490 HZ2 TRP 64 2HZ TRP 64 -4.828 -7.282 -7.169 491 HZ3 TRP 64 3HZ TRP 64 -4.234 -3.196 -5.975 492 HH2 TRP 64 HH TRP 64 -5.380 -5.332 -5.667 493 H THR 65 H THR 65 -1.536 -0.205 -10.354 494 HA THR 65 HA THR 65 0.572 0.190 -12.366 495 HB THR 65 HB THR 65 -1.881 1.302 -12.325 496 HG1 THR 65 1HG THR 65 0.700 2.660 -12.675 497 HG21 THR 65 1HG2 THR 65 -1.780 3.559 -11.329 498 HG22 THR 65 2HG2 THR 65 -1.542 2.353 -10.041 499 HG23 THR 65 3HG2 THR 65 -0.146 3.237 -10.702 500 H VAL 66 H VAL 66 2.583 0.366 -11.624 501 HA VAL 66 HA VAL 66 3.232 0.594 -8.954 502 HB VAL 66 HB VAL 66 4.727 1.207 -11.499 503 HG11 VAL 66 1HG1 VAL 66 6.684 0.787 -9.620 504 HG12 VAL 66 2HG1 VAL 66 6.179 2.378 -10.238 505 HG13 VAL 66 3HG1 VAL 66 5.504 1.761 -8.711 506 HG21 VAL 66 1HG2 VAL 66 5.038 -1.088 -9.539 507 HG22 VAL 66 2HG2 VAL 66 4.019 -1.152 -10.998 508 HG23 VAL 66 3HG2 VAL 66 5.778 -0.925 -11.150 509 H LEU 67 H LEU 67 2.355 2.213 -7.711 510 HA LEU 67 HA LEU 67 2.328 4.906 -8.768 511 HB2 LEU 67 1HB LEU 67 0.482 3.699 -7.414 512 HB3 LEU 67 2HB LEU 67 1.472 4.064 -6.015 513 HG LEU 67 HG LEU 67 1.388 6.514 -6.796 514 HD11 LEU 67 1HD1 LEU 67 0.184 7.135 -8.564 515 HD12 LEU 67 2HD1 LEU 67 0.133 5.412 -9.009 516 HD13 LEU 67 3HD1 LEU 67 -1.202 6.130 -8.078 517 HD21 LEU 67 1HD2 LEU 67 -1.367 5.728 -6.043 518 HD22 LEU 67 2HD2 LEU 67 -0.062 5.129 -4.991 519 HD23 LEU 67 3HD2 LEU 67 -0.242 6.876 -5.279 520 H LEU 68 H LEU 68 3.608 3.242 -5.796 521 HA LEU 68 HA LEU 68 5.657 5.342 -5.711 522 HB2 LEU 68 1HB LEU 68 3.881 4.390 -3.758 523 HB3 LEU 68 2HB LEU 68 5.444 3.730 -3.322 524 HG LEU 68 HG LEU 68 4.721 6.647 -3.677 525 HD11 LEU 68 1HD1 LEU 68 5.672 5.100 -1.250 526 HD12 LEU 68 2HD1 LEU 68 5.280 6.835 -1.313 527 HD13 LEU 68 3HD1 LEU 68 4.000 5.625 -1.566 528 HD21 LEU 68 1HD2 LEU 68 7.426 5.343 -3.373 529 HD22 LEU 68 2HD2 LEU 68 6.886 6.538 -4.576 530 HD23 LEU 68 3HD2 LEU 68 7.120 7.026 -2.881 531 H ALA 69 H ALA 69 7.507 4.703 -6.680 532 HA ALA 69 HA ALA 69 8.134 1.873 -6.741 533 HB1 ALA 69 1HB ALA 69 8.899 2.508 -8.756 534 HB2 ALA 69 2HB ALA 69 8.658 4.224 -8.351 535 HB3 ALA 69 3HB ALA 69 10.188 3.418 -7.932 536 H SER 70 H SER 70 9.336 4.975 -5.365 537 HA SER 70 HA SER 70 11.378 3.446 -3.980 538 HB2 SER 70 1HB SER 70 12.067 5.491 -5.250 539 HB3 SER 70 2HB SER 70 11.021 6.466 -4.237 540 HG SER 70 HG SER 70 12.363 6.220 -2.504 541 H VAL 71 H VAL 71 10.437 2.540 -2.148 542 HA VAL 71 HA VAL 71 9.005 4.421 -0.402 543 HB VAL 71 HB VAL 71 8.473 1.512 -1.005 544 HG11 VAL 71 1HG1 VAL 71 6.856 1.454 0.771 545 HG12 VAL 71 2HG1 VAL 71 8.409 1.980 1.462 546 HG13 VAL 71 3HG1 VAL 71 7.126 3.173 1.148 547 HG21 VAL 71 1HG2 VAL 71 7.314 4.035 -1.851 548 HG22 VAL 71 2HG2 VAL 71 6.997 2.384 -2.437 549 HG23 VAL 71 3HG2 VAL 71 6.103 3.017 -1.034 550 H ASP 72 H ASP 72 9.334 4.102 1.906 551 HA ASP 72 HA ASP 72 12.005 3.499 2.460 552 HB2 ASP 72 1HB ASP 72 9.714 4.649 3.805 553 HB3 ASP 72 2HB ASP 72 10.420 3.447 4.868 554 HA PRO 73 HA PRO 73 11.441 -0.773 3.338 555 HB2 PRO 73 1HB PRO 73 13.835 -1.318 4.539 556 HB3 PRO 73 2HB PRO 73 13.628 -1.251 2.800 557 HG2 PRO 73 1HG PRO 73 14.898 0.727 4.593 558 HG3 PRO 73 2HG PRO 73 15.052 0.563 2.855 559 HD2 PRO 73 1HD PRO 73 13.486 2.510 4.263 560 HD3 PRO 73 2HD PRO 73 13.549 2.271 2.528 561 H LYS 74 H LYS 74 12.390 1.398 5.889 562 HA LYS 74 HA LYS 74 11.451 -0.486 7.873 563 HB2 LYS 74 1HB LYS 74 12.519 2.334 8.193 564 HB3 LYS 74 2HB LYS 74 12.225 1.183 9.481 565 HG2 LYS 74 1HG LYS 74 13.818 -0.316 7.786 566 HG3 LYS 74 2HG LYS 74 14.458 1.292 7.512 567 HD2 LYS 74 1HD LYS 74 14.184 -0.118 10.206 568 HD3 LYS 74 2HD LYS 74 15.679 0.232 9.361 569 HE2 LYS 74 1HE LYS 74 15.647 2.485 9.929 570 HE3 LYS 74 2HE LYS 74 13.897 2.585 9.894 571 HZ1 LYS 74 1HZ LYS 74 15.628 1.812 12.055 572 HZ2 LYS 74 2HZ LYS 74 14.188 2.582 12.096 573 HZ3 LYS 74 3HZ LYS 74 14.242 0.958 11.931 574 H ALA 75 H ALA 75 9.827 1.133 5.642 575 HA ALA 75 HA ALA 75 7.908 2.383 7.455 576 HB1 ALA 75 1HB ALA 75 8.362 2.458 4.453 577 HB2 ALA 75 2HB ALA 75 6.919 3.156 5.227 578 HB3 ALA 75 3HB ALA 75 8.535 3.786 5.626 579 H THR 76 H THR 76 5.822 1.596 7.744 580 HA THR 76 HA THR 76 5.207 -0.904 6.311 581 HB THR 76 HB THR 76 4.056 -1.506 8.559 582 HG1 THR 76 1HG THR 76 5.947 0.577 9.379 583 HG21 THR 76 1HG2 THR 76 5.971 -2.767 8.682 584 HG22 THR 76 2HG2 THR 76 6.946 -1.487 7.920 585 HG23 THR 76 3HG2 THR 76 6.631 -1.442 9.671 586 H SER 77 H SER 77 4.496 2.273 6.408 587 HA SER 77 HA SER 77 1.807 1.705 5.564 588 HB2 SER 77 1HB SER 77 1.053 3.804 6.941 589 HB3 SER 77 2HB SER 77 1.179 2.256 7.752 590 HG SER 77 HG SER 77 3.269 2.876 8.559 591 H VAL 78 H VAL 78 1.028 3.268 4.027 592 HA VAL 78 HA VAL 78 2.782 5.531 3.489 593 HB VAL 78 HB VAL 78 3.528 3.542 2.149 594 HG11 VAL 78 1HG1 VAL 78 2.210 2.490 0.599 595 HG12 VAL 78 2HG1 VAL 78 0.960 2.924 1.789 596 HG13 VAL 78 3HG1 VAL 78 1.185 3.920 0.331 597 HG21 VAL 78 1HG2 VAL 78 3.463 6.173 1.498 598 HG22 VAL 78 2HG2 VAL 78 4.220 4.919 0.487 599 HG23 VAL 78 3HG2 VAL 78 2.572 5.484 0.120 600 H THR 79 H THR 79 1.717 7.178 2.124 601 HA THR 79 HA THR 79 -1.214 6.929 2.301 602 HB THR 79 HB THR 79 0.640 9.352 2.588 603 HG1 THR 79 1HG THR 79 0.418 7.820 4.410 604 HG21 THR 79 1HG2 THR 79 -2.194 9.186 1.912 605 HG22 THR 79 2HG2 THR 79 -2.004 9.843 3.556 606 HG23 THR 79 3HG2 THR 79 -1.202 10.640 2.181 607 H VAL 80 H VAL 80 -2.464 7.335 0.531 608 HA VAL 80 HA VAL 80 -0.945 7.893 -1.921 609 HB VAL 80 HB VAL 80 -3.530 6.377 -1.509 610 HG11 VAL 80 1HG1 VAL 80 -3.599 5.959 -3.825 611 HG12 VAL 80 2HG1 VAL 80 -3.220 7.694 -3.696 612 HG13 VAL 80 3HG1 VAL 80 -1.929 6.526 -4.069 613 HG21 VAL 80 1HG2 VAL 80 -1.652 4.679 -2.666 614 HG22 VAL 80 2HG2 VAL 80 -0.724 5.572 -1.437 615 HG23 VAL 80 3HG2 VAL 80 -2.185 4.671 -0.968 616 H LYS 81 H LYS 81 -1.067 10.090 -2.201 617 HA LYS 81 HA LYS 81 -3.635 11.369 -1.692 618 HB2 LYS 81 1HB LYS 81 -0.983 12.647 -2.407 619 HB3 LYS 81 2HB LYS 81 -2.417 13.449 -1.798 620 HG2 LYS 81 1HG LYS 81 -2.151 12.595 0.376 621 HG3 LYS 81 2HG LYS 81 -1.260 11.188 -0.167 622 HD2 LYS 81 1HD LYS 81 0.493 13.107 -0.960 623 HD3 LYS 81 2HD LYS 81 -0.274 13.979 0.353 624 HE2 LYS 81 1HE LYS 81 0.511 12.505 1.990 625 HE3 LYS 81 2HE LYS 81 0.553 11.135 0.898 626 HZ1 LYS 81 1HZ LYS 81 2.718 12.308 1.596 627 HZ2 LYS 81 2HZ LYS 81 2.551 11.783 0.058 628 HZ3 LYS 81 3HZ LYS 81 2.352 13.366 0.407 629 H GLY 82 H GLY 82 -4.370 13.032 -3.365 630 HA2 GLY 82 1HA GLY 82 -4.977 13.568 -5.467 631 HA3 GLY 82 2HA GLY 82 -3.523 12.788 -6.057 632 H LEU 83 H LEU 83 -6.783 11.984 -4.672 633 HA LEU 83 HA LEU 83 -6.871 9.760 -6.589 634 HB2 LEU 83 1HB LEU 83 -7.845 9.825 -3.732 635 HB3 LEU 83 2HB LEU 83 -8.275 8.579 -4.887 636 HG LEU 83 HG LEU 83 -5.537 9.186 -3.755 637 HD11 LEU 83 1HD1 LEU 83 -7.310 6.732 -3.623 638 HD12 LEU 83 2HD1 LEU 83 -5.662 6.857 -2.961 639 HD13 LEU 83 3HD1 LEU 83 -6.966 7.872 -2.300 640 HD21 LEU 83 1HD2 LEU 83 -4.866 8.675 -5.879 641 HD22 LEU 83 2HD2 LEU 83 -4.989 7.036 -5.195 642 HD23 LEU 83 3HD2 LEU 83 -6.299 7.674 -6.217 643 H VAL 84 H VAL 84 -9.249 9.083 -7.012 644 HA VAL 84 HA VAL 84 -10.741 11.572 -7.401 645 HB VAL 84 HB VAL 84 -10.803 8.887 -8.784 646 HG11 VAL 84 1HG1 VAL 84 -12.960 10.666 -8.471 647 HG12 VAL 84 2HG1 VAL 84 -12.337 10.953 -10.114 648 HG13 VAL 84 3HG1 VAL 84 -12.828 9.315 -9.622 649 HG21 VAL 84 1HG2 VAL 84 -8.977 10.017 -9.662 650 HG22 VAL 84 2HG2 VAL 84 -10.280 10.512 -10.769 651 HG23 VAL 84 3HG2 VAL 84 -9.742 11.615 -9.480 652 HA PRO 85 HA PRO 85 -13.524 10.126 -4.393 653 HB2 PRO 85 1HB PRO 85 -15.391 12.111 -4.597 654 HB3 PRO 85 2HB PRO 85 -13.930 12.264 -3.642 655 HG2 PRO 85 1HG PRO 85 -14.566 13.471 -6.265 656 HG3 PRO 85 2HG PRO 85 -13.327 13.933 -5.115 657 HD2 PRO 85 1HD PRO 85 -12.946 12.470 -7.553 658 HD3 PRO 85 2HD PRO 85 -11.727 12.832 -6.346 659 H ALA 86 H ALA 86 -15.258 8.769 -4.177 660 HA ALA 86 HA ALA 86 -17.041 7.618 -4.839 661 HB1 ALA 86 1HB ALA 86 -17.340 10.082 -6.217 662 HB2 ALA 86 2HB ALA 86 -17.669 8.798 -7.404 663 HB3 ALA 86 3HB ALA 86 -18.592 8.862 -5.884 664 H ARG 87 H ARG 87 -14.468 6.679 -5.298 665 HA ARG 87 HA ARG 87 -15.003 5.012 -7.555 666 HB2 ARG 87 1HB ARG 87 -12.769 7.039 -7.496 667 HB3 ARG 87 2HB ARG 87 -12.405 5.470 -8.187 668 HG2 ARG 87 1HG ARG 87 -14.600 5.791 -9.579 669 HG3 ARG 87 2HG ARG 87 -14.502 7.474 -9.099 670 HD2 ARG 87 1HD ARG 87 -12.104 7.499 -10.013 671 HD3 ARG 87 2HD ARG 87 -12.403 5.898 -10.659 672 HE ARG 87 HE ARG 87 -14.528 7.652 -11.477 673 HH11 ARG 87 2HH2 ARG 87 -11.124 7.014 -12.101 674 HH12 ARG 87 1HH2 ARG 87 -11.176 7.620 -13.723 675 HH21 ARG 87 2HH1 ARG 87 -14.598 8.451 -13.616 676 HH22 ARG 87 1HH1 ARG 87 -13.166 8.443 -14.591 677 H SER 88 H SER 88 -13.703 3.014 -7.491 678 HA SER 88 HA SER 88 -12.945 2.393 -4.822 679 HB2 SER 88 1HB SER 88 -13.045 0.814 -7.418 680 HB3 SER 88 2HB SER 88 -12.400 0.114 -5.947 681 HG SER 88 HG SER 88 -14.403 0.259 -4.943 682 H TYR 89 H TYR 89 -10.816 1.616 -4.147 683 HA TYR 89 HA TYR 89 -8.640 2.058 -6.030 684 HB2 TYR 89 1HB TYR 89 -9.362 3.575 -3.491 685 HB3 TYR 89 2HB TYR 89 -7.658 3.283 -3.783 686 HD1 TYR 89 2HD TYR 89 -6.926 3.864 -6.342 687 HD2 TYR 89 1HD TYR 89 -10.210 5.602 -4.221 688 HE1 TYR 89 2HE TYR 89 -6.845 5.897 -7.867 689 HE2 TYR 89 1HE TYR 89 -10.118 7.628 -5.754 690 HH TYR 89 HH TYR 89 -8.060 7.662 -8.575 691 H GLN 90 H GLN 90 -7.122 0.478 -5.826 692 HA GLN 90 HA GLN 90 -7.219 -1.034 -3.333 693 HB2 GLN 90 1HB GLN 90 -6.975 -1.858 -6.203 694 HB3 GLN 90 2HB GLN 90 -6.020 -2.771 -5.051 695 HG2 GLN 90 1HG GLN 90 -8.144 -3.072 -3.657 696 HG3 GLN 90 2HG GLN 90 -9.041 -2.338 -4.971 697 HE21 GLN 90 1HE2 GLN 90 -9.499 -4.910 -4.023 698 HE22 GLN 90 2HE2 GLN 90 -9.115 -6.071 -5.249 699 H PHE 91 H PHE 91 -5.064 -2.101 -2.732 700 HA PHE 91 HA PHE 91 -2.748 -0.741 -3.811 701 HB2 PHE 91 1HB PHE 91 -3.704 -0.665 -0.886 702 HB3 PHE 91 2HB PHE 91 -2.102 -0.156 -1.381 703 HD1 PHE 91 2HD PHE 91 -2.189 1.614 -3.437 704 HD2 PHE 91 1HD PHE 91 -5.244 1.006 -0.556 705 HE1 PHE 91 2HE PHE 91 -3.059 3.928 -3.872 706 HE2 PHE 91 1HE PHE 91 -6.115 3.320 -0.991 707 HZ PHE 91 HZ PHE 91 -5.012 4.753 -2.644 708 H ARG 92 H ARG 92 -0.822 -1.927 -3.541 709 HA ARG 92 HA ARG 92 -0.733 -4.061 -1.703 710 HB2 ARG 92 1HB ARG 92 -0.352 -5.834 -3.543 711 HB3 ARG 92 2HB ARG 92 -2.011 -5.329 -3.290 712 HG2 ARG 92 1HG ARG 92 -2.081 -4.061 -5.278 713 HG3 ARG 92 2HG ARG 92 -0.344 -3.832 -5.319 714 HD2 ARG 92 1HD ARG 92 -0.511 -6.587 -5.511 715 HD3 ARG 92 2HD ARG 92 -1.978 -6.108 -6.342 716 HE ARG 92 HE ARG 92 -0.179 -4.426 -7.498 717 HH11 ARG 92 2HH2 ARG 92 -0.004 -7.879 -6.844 718 HH12 ARG 92 1HH2 ARG 92 1.037 -8.211 -8.189 719 HH21 ARG 92 2HH1 ARG 92 1.194 -4.863 -9.272 720 HH22 ARG 92 1HH1 ARG 92 1.722 -6.483 -9.579 721 H LEU 93 H LEU 93 1.368 -3.799 -1.011 722 HA LEU 93 HA LEU 93 3.369 -3.178 -3.071 723 HB2 LEU 93 1HB LEU 93 4.642 -2.081 -1.299 724 HB3 LEU 93 2HB LEU 93 3.086 -1.329 -1.587 725 HG LEU 93 HG LEU 93 3.378 -3.343 0.626 726 HD11 LEU 93 1HD1 LEU 93 3.721 -0.556 1.471 727 HD12 LEU 93 2HD1 LEU 93 4.568 -2.033 1.990 728 HD13 LEU 93 3HD1 LEU 93 5.078 -1.188 0.508 729 HD21 LEU 93 1HD2 LEU 93 1.233 -1.938 -0.354 730 HD22 LEU 93 2HD2 LEU 93 1.353 -2.649 1.274 731 HD23 LEU 93 3HD2 LEU 93 1.751 -0.933 1.021 732 H CYS 94 H CYS 94 5.482 -4.194 -2.838 733 HA CYS 94 HA CYS 94 5.264 -6.708 -1.347 734 HB2 CYS 94 1HB CYS 94 6.921 -7.586 -3.059 735 HB3 CYS 94 2HB CYS 94 5.292 -7.293 -3.636 736 HG CYS 94 HG CYS 94 8.062 -5.544 -3.992 737 H ALA 95 H ALA 95 7.701 -7.576 -0.958 738 HA ALA 95 HA ALA 95 9.106 -5.320 0.266 739 HB1 ALA 95 1HB ALA 95 10.239 -7.201 1.551 740 HB2 ALA 95 2HB ALA 95 8.492 -7.024 1.842 741 HB3 ALA 95 3HB ALA 95 9.090 -8.316 0.774 742 H VAL 96 H VAL 96 10.768 -4.489 -0.889 743 HA VAL 96 HA VAL 96 12.215 -6.353 -2.640 744 HB VAL 96 HB VAL 96 11.875 -3.355 -2.852 745 HG11 VAL 96 1HG1 VAL 96 13.399 -3.326 -4.503 746 HG12 VAL 96 2HG1 VAL 96 13.936 -4.893 -3.851 747 HG13 VAL 96 3HG1 VAL 96 12.793 -4.840 -5.215 748 HG21 VAL 96 1HG2 VAL 96 10.031 -3.670 -4.080 749 HG22 VAL 96 2HG2 VAL 96 10.802 -4.956 -5.039 750 HG23 VAL 96 3HG2 VAL 96 10.028 -5.348 -3.485 751 H ASN 97 H ASN 97 14.358 -6.708 -2.248 752 HA ASN 97 HA ASN 97 15.694 -4.790 -0.534 753 HB2 ASN 97 1HB ASN 97 16.812 -6.962 0.528 754 HB3 ASN 97 2HB ASN 97 15.269 -6.397 1.136 755 HD21 ASN 97 1HD2 ASN 97 15.866 -8.924 1.605 756 HD22 ASN 97 2HD2 ASN 97 14.957 -10.026 0.625 757 H ASP 98 H ASP 98 18.217 -5.668 -0.426 758 HA ASP 98 HA ASP 98 19.356 -5.298 -2.763 759 HB2 ASP 98 1HB ASP 98 20.608 -5.595 -0.657 760 HB3 ASP 98 2HB ASP 98 20.220 -7.304 -0.629 761 H VAL 99 H VAL 99 18.654 -8.605 -1.379 762 HA VAL 99 HA VAL 99 19.438 -10.195 -3.390 763 HB VAL 99 HB VAL 99 18.034 -11.816 -2.515 764 HG11 VAL 99 1HG1 VAL 99 19.456 -10.282 -0.804 765 HG12 VAL 99 2HG1 VAL 99 17.836 -10.117 -0.084 766 HG13 VAL 99 3HG1 VAL 99 18.552 -11.732 -0.305 767 HG21 VAL 99 1HG2 VAL 99 16.094 -9.652 -1.630 768 HG22 VAL 99 2HG2 VAL 99 15.899 -10.703 -3.053 769 HG23 VAL 99 3HG2 VAL 99 15.887 -11.408 -1.419 770 H GLY 100 H GLY 100 16.245 -8.482 -3.198 771 HA2 GLY 100 1HA GLY 100 16.006 -7.643 -5.740 772 HA3 GLY 100 2HA GLY 100 15.554 -9.331 -5.879 773 H LYS 101 H LYS 101 13.342 -9.344 -6.093 774 HA LYS 101 HA LYS 101 11.852 -8.014 -3.946 775 HB2 LYS 101 1HB LYS 101 11.631 -6.595 -5.878 776 HB3 LYS 101 2HB LYS 101 11.254 -7.956 -6.914 777 HG2 LYS 101 1HG LYS 101 9.357 -8.211 -4.880 778 HG3 LYS 101 2HG LYS 101 9.499 -6.472 -5.046 779 HD2 LYS 101 1HD LYS 101 8.828 -8.473 -7.249 780 HD3 LYS 101 2HD LYS 101 7.765 -7.253 -6.576 781 HE2 LYS 101 1HE LYS 101 8.710 -5.547 -7.809 782 HE3 LYS 101 2HE LYS 101 10.333 -6.188 -7.653 783 HZ1 LYS 101 1HZ LYS 101 10.090 -7.417 -9.493 784 HZ2 LYS 101 2HZ LYS 101 8.512 -7.754 -9.241 785 HZ3 LYS 101 3HZ LYS 101 8.948 -6.314 -9.876 786 H GLY 102 H GLY 102 10.237 -9.237 -3.010 787 HA2 GLY 102 1HA GLY 102 10.178 -12.045 -3.805 788 HA3 GLY 102 2HA GLY 102 9.564 -11.340 -2.323 789 H GLN 103 H GLN 103 7.371 -11.312 -2.143 790 HA GLN 103 HA GLN 103 5.890 -11.139 -4.651 791 HB2 GLN 103 1HB GLN 103 4.179 -12.546 -3.697 792 HB3 GLN 103 2HB GLN 103 5.715 -13.338 -3.408 793 HG2 GLN 103 1HG GLN 103 5.485 -11.751 -1.144 794 HG3 GLN 103 2HG GLN 103 3.807 -12.146 -1.462 795 HE21 GLN 103 1HE2 GLN 103 3.806 -13.352 0.470 796 HE22 GLN 103 2HE2 GLN 103 4.458 -14.955 0.552 797 H PHE 104 H PHE 104 3.459 -10.356 -4.104 798 HA PHE 104 HA PHE 104 3.814 -7.939 -2.486 799 HB2 PHE 104 1HB PHE 104 1.937 -8.745 -4.787 800 HB3 PHE 104 2HB PHE 104 1.816 -7.207 -3.956 801 HD1 PHE 104 2HD PHE 104 4.478 -9.248 -5.612 802 HD2 PHE 104 1HD PHE 104 2.773 -5.409 -5.015 803 HE1 PHE 104 2HE PHE 104 6.152 -8.258 -7.199 804 HE2 PHE 104 1HE PHE 104 4.447 -4.418 -6.602 805 HZ PHE 104 HZ PHE 104 6.116 -5.855 -7.675 806 H SER 105 H SER 105 1.634 -7.095 -1.544 807 HA SER 105 HA SER 105 0.539 -9.311 -0.078 808 HB2 SER 105 1HB SER 105 -0.622 -7.414 1.207 809 HB3 SER 105 2HB SER 105 1.127 -7.460 1.299 810 HG SER 105 HG SER 105 -0.465 -5.760 -0.424 811 H LYS 106 H LYS 106 -1.681 -9.925 -0.097 812 HA LYS 106 HA LYS 106 -3.026 -9.759 -2.471 813 HB2 LYS 106 1HB LYS 106 -4.693 -10.947 -1.429 814 HB3 LYS 106 2HB LYS 106 -3.346 -11.260 -0.353 815 HG2 LYS 106 1HG LYS 106 -5.319 -8.976 0.094 816 HG3 LYS 106 2HG LYS 106 -5.548 -10.573 0.778 817 HD2 LYS 106 1HD LYS 106 -3.163 -8.730 1.276 818 HD3 LYS 106 2HD LYS 106 -4.446 -9.084 2.416 819 HE2 LYS 106 1HE LYS 106 -3.615 -11.638 1.790 820 HE3 LYS 106 2HE LYS 106 -2.109 -10.760 1.613 821 HZ1 LYS 106 1HZ LYS 106 -3.353 -11.510 3.955 822 HZ2 LYS 106 2HZ LYS 106 -1.967 -10.663 3.791 823 HZ3 LYS 106 3HZ LYS 106 -3.393 -9.878 3.918 824 H ASP 107 H ASP 107 -5.106 -8.664 -3.015 825 HA ASP 107 HA ASP 107 -4.812 -5.956 -2.904 826 HB2 ASP 107 1HB ASP 107 -7.302 -5.938 -3.556 827 HB3 ASP 107 2HB ASP 107 -6.233 -6.867 -4.589 828 H THR 108 H THR 108 -5.132 -4.519 -1.197 829 HA THR 108 HA THR 108 -6.137 -5.375 1.284 830 HB THR 108 HB THR 108 -5.963 -2.868 1.758 831 HG1 THR 108 1HG THR 108 -6.443 -1.991 -0.289 832 HG21 THR 108 1HG2 THR 108 -3.805 -4.619 0.753 833 HG22 THR 108 2HG2 THR 108 -3.476 -2.898 0.443 834 HG23 THR 108 3HG2 THR 108 -3.774 -3.461 2.105 835 H GLU 109 H GLU 109 -8.017 -4.610 2.467 836 HA GLU 109 HA GLU 109 -10.331 -5.228 1.357 837 HB2 GLU 109 1HB GLU 109 -9.476 -3.825 3.719 838 HB3 GLU 109 2HB GLU 109 -10.876 -2.984 3.085 839 HG2 GLU 109 1HG GLU 109 -12.034 -5.275 2.906 840 HG3 GLU 109 2HG GLU 109 -10.683 -5.943 3.799 841 H ARG 110 H ARG 110 -11.342 -4.561 -0.484 842 HA ARG 110 HA ARG 110 -10.751 -2.587 -2.065 843 HB2 ARG 110 1HB ARG 110 -12.776 -4.324 -2.063 844 HB3 ARG 110 2HB ARG 110 -13.706 -2.956 -1.484 845 HG2 ARG 110 1HG ARG 110 -12.516 -1.695 -3.529 846 HG3 ARG 110 2HG ARG 110 -12.329 -3.324 -4.148 847 HD2 ARG 110 1HD ARG 110 -15.042 -2.957 -3.123 848 HD3 ARG 110 2HD ARG 110 -14.661 -1.690 -4.272 849 HE ARG 110 HE ARG 110 -14.623 -3.283 -5.992 850 HH11 ARG 110 2HH2 ARG 110 -14.444 -4.925 -2.885 851 HH12 ARG 110 1HH2 ARG 110 -14.627 -6.507 -3.566 852 HH21 ARG 110 2HH1 ARG 110 -14.865 -5.370 -6.891 853 HH22 ARG 110 1HH1 ARG 110 -14.868 -6.762 -5.860 854 H VAL 111 H VAL 111 -10.110 -0.541 -1.337 855 HA VAL 111 HA VAL 111 -11.896 0.855 0.498 856 HB VAL 111 HB VAL 111 -9.085 1.398 -0.474 857 HG11 VAL 111 1HG1 VAL 111 -10.033 3.541 -0.096 858 HG12 VAL 111 2HG1 VAL 111 -10.885 2.993 1.367 859 HG13 VAL 111 3HG1 VAL 111 -9.112 3.150 1.376 860 HG21 VAL 111 1HG2 VAL 111 -10.246 -0.038 1.827 861 HG22 VAL 111 2HG2 VAL 111 -8.633 -0.165 1.085 862 HG23 VAL 111 3HG2 VAL 111 -8.976 1.135 2.251 863 H SER 112 H SER 112 -13.351 2.315 -0.234 864 HA SER 112 HA SER 112 -12.901 3.296 -2.943 865 HB2 SER 112 1HB SER 112 -14.918 2.096 -3.046 866 HB3 SER 112 2HB SER 112 -15.394 2.543 -1.420 867 HG SER 112 HG SER 112 -15.916 4.651 -2.133 868 H LEU 113 H LEU 113 -13.136 5.559 -3.349 869 HA LEU 113 HA LEU 113 -12.903 7.175 -0.949 870 HB2 LEU 113 1HB LEU 113 -11.671 7.171 -3.447 871 HB3 LEU 113 2HB LEU 113 -12.732 8.565 -3.494 872 HG LEU 113 HG LEU 113 -11.444 8.678 -0.984 873 HD11 LEU 113 1HD1 LEU 113 -9.490 7.645 -1.200 874 HD12 LEU 113 2HD1 LEU 113 -9.790 7.303 -2.921 875 HD13 LEU 113 3HD1 LEU 113 -9.057 8.851 -2.436 876 HD21 LEU 113 1HD2 LEU 113 -10.343 10.356 -3.145 877 HD22 LEU 113 2HD2 LEU 113 -12.116 10.388 -2.990 878 HD23 LEU 113 3HD2 LEU 113 -11.092 10.810 -1.596 879 HA PRO 114 HA PRO 114 -16.976 8.588 -1.246 880 HB2 PRO 114 1HB PRO 114 -16.833 10.793 0.362 881 HB3 PRO 114 2HB PRO 114 -17.006 9.164 0.983 882 HG2 PRO 114 1HG PRO 114 -14.609 10.894 0.957 883 HG3 PRO 114 2HG PRO 114 -14.923 9.468 1.927 884 HD2 PRO 114 1HD PRO 114 -13.236 9.632 -0.387 885 HD3 PRO 114 2HD PRO 114 -13.643 8.185 0.513 886 H GLU 115 H GLU 115 -18.401 10.006 -2.291 887 HA GLU 115 HA GLU 115 -17.245 11.223 -4.473 888 HB2 GLU 115 1HB GLU 115 -19.731 10.488 -3.941 889 HB3 GLU 115 2HB GLU 115 -19.912 12.135 -3.371 890 HG2 GLU 115 1HG GLU 115 -19.304 13.050 -5.537 891 HG3 GLU 115 2HG GLU 115 -18.764 11.488 -6.120 892 H SER 116 H SER 116 -17.331 13.600 -5.067 893 HA SER 116 HA SER 116 -16.145 15.065 -2.933 894 HB2 SER 116 1HB SER 116 -15.869 16.841 -4.703 895 HB3 SER 116 2HB SER 116 -15.173 15.292 -5.136 896 HG SER 116 HG SER 116 -17.869 15.657 -5.906 897 H GLY 117 H GLY 117 -18.161 15.034 -1.550 898 HA2 GLY 117 1HA GLY 117 -19.411 17.071 -0.836 899 HA3 GLY 117 2HA GLY 117 -20.116 17.069 -2.440 900 HA PRO 118 HA PRO 118 -23.023 14.618 -0.107 901 HB2 PRO 118 1HB PRO 118 -25.265 15.460 -1.423 902 HB3 PRO 118 2HB PRO 118 -24.642 16.252 0.011 903 HG2 PRO 118 1HG PRO 118 -24.492 17.134 -2.806 904 HG3 PRO 118 2HG PRO 118 -24.267 18.078 -1.347 905 HD2 PRO 118 1HD PRO 118 -22.212 17.110 -3.098 906 HD3 PRO 118 2HD PRO 118 -21.984 17.953 -1.579 907 H SER 119 H SER 119 -24.936 13.109 -0.855 908 HA SER 119 HA SER 119 -24.245 12.073 -3.459 909 HB2 SER 119 1HB SER 119 -23.123 10.911 -1.210 910 HB3 SER 119 2HB SER 119 -24.574 9.949 -1.410 911 HG SER 119 HG SER 119 -22.645 10.467 -3.511 912 H SER 120 H SER 120 -25.882 10.158 -3.992 913 HA SER 120 HA SER 120 -28.464 11.147 -3.140 914 HB2 SER 120 1HB SER 120 -27.856 9.136 -5.346 915 HB3 SER 120 2HB SER 120 -29.356 10.009 -5.101 916 HG SER 120 HG SER 120 -26.989 10.835 -6.341 917 H GLY 121 H GLY 121 -30.086 9.748 -2.237 918 HA2 GLY 121 1HA GLY 121 -30.908 7.963 -1.137 919 HA3 GLY 121 2HA GLY 121 -29.710 6.956 -1.925 Start of MODEL 14 1 H1 GLY 1 H GLY 1 15.256 -50.273 3.193 2 HA2 GLY 1 1HA GLY 1 17.633 -49.575 2.963 3 HA3 GLY 1 2HA GLY 1 17.512 -50.074 1.288 4 H SER 2 H SER 2 17.244 -47.449 3.421 5 HA SER 2 HA SER 2 16.269 -45.819 1.297 6 HB2 SER 2 1HB SER 2 14.424 -44.797 2.591 7 HB3 SER 2 2HB SER 2 14.134 -46.504 2.318 8 HG SER 2 HG SER 2 15.260 -45.386 4.745 9 H SER 3 H SER 3 16.261 -43.389 2.112 10 HA SER 3 HA SER 3 17.378 -41.722 2.935 11 HB2 SER 3 1HB SER 3 16.502 -42.882 5.127 12 HB3 SER 3 2HB SER 3 18.175 -43.340 5.373 13 HG SER 3 HG SER 3 17.366 -40.609 4.873 14 H GLY 4 H GLY 4 19.561 -40.830 3.083 15 HA2 GLY 4 1HA GLY 4 21.932 -41.629 3.564 16 HA3 GLY 4 2HA GLY 4 21.619 -42.790 2.289 17 H SER 5 H SER 5 23.735 -41.096 1.905 18 HA SER 5 HA SER 5 24.614 -39.660 0.537 19 HB2 SER 5 1HB SER 5 22.581 -40.951 -0.954 20 HB3 SER 5 2HB SER 5 22.426 -39.255 -1.364 21 HG SER 5 HG SER 5 24.872 -40.805 -1.501 22 H SER 6 H SER 6 24.790 -37.745 1.718 23 HA SER 6 HA SER 6 22.430 -36.101 1.930 24 HB2 SER 6 1HB SER 6 25.200 -35.550 3.071 25 HB3 SER 6 2HB SER 6 23.686 -34.818 3.566 26 HG SER 6 HG SER 6 24.187 -37.660 3.763 27 H GLY 7 H GLY 7 22.858 -33.605 1.627 28 HA2 GLY 7 1HA GLY 7 24.831 -33.017 -0.441 29 HA3 GLY 7 2HA GLY 7 23.146 -32.872 -0.899 30 H ARG 8 H ARG 8 25.169 -30.722 -0.707 31 HA ARG 8 HA ARG 8 24.750 -29.315 1.669 32 HB2 ARG 8 1HB ARG 8 26.004 -28.793 -1.002 33 HB3 ARG 8 2HB ARG 8 25.498 -27.364 -0.123 34 HG2 ARG 8 1HG ARG 8 26.725 -28.566 1.926 35 HG3 ARG 8 2HG ARG 8 27.557 -29.437 0.654 36 HD2 ARG 8 1HD ARG 8 27.457 -26.571 0.041 37 HD3 ARG 8 2HD ARG 8 28.167 -26.839 1.620 38 HE ARG 8 HE ARG 8 29.304 -28.728 -0.201 39 HH11 ARG 8 2HH2 ARG 8 29.319 -25.269 0.443 40 HH12 ARG 8 1HH2 ARG 8 30.903 -25.024 -0.213 41 HH21 ARG 8 2HH1 ARG 8 31.395 -28.406 -1.067 42 HH22 ARG 8 1HH1 ARG 8 32.092 -26.820 -1.078 43 H SER 9 H SER 9 23.625 -27.145 1.839 44 HA SER 9 HA SER 9 21.588 -26.718 -0.149 45 HB2 SER 9 1HB SER 9 20.376 -28.191 1.315 46 HB3 SER 9 2HB SER 9 21.004 -27.410 2.752 47 HG SER 9 HG SER 9 18.785 -26.765 1.242 48 H ALA 10 H ALA 10 22.915 -24.791 -0.528 49 HA ALA 10 HA ALA 10 23.279 -22.614 -0.328 50 HB1 ALA 10 1HB ALA 10 21.428 -21.565 0.385 51 HB2 ALA 10 2HB ALA 10 20.896 -23.050 1.210 52 HB3 ALA 10 3HB ALA 10 21.908 -21.867 2.072 53 H HIS 11 H HIS 11 22.883 -23.495 3.171 54 HA HIS 11 HA HIS 11 24.433 -23.818 4.736 55 HB2 HIS 11 1HB HIS 11 25.952 -24.380 2.575 56 HB3 HIS 11 2HB HIS 11 26.772 -22.933 3.127 57 HD1 HIS 11 1HD HIS 11 26.688 -26.515 3.652 58 HD2 HIS 11 2HD HIS 11 27.533 -23.168 6.035 59 HE1 HIS 11 1HE HIS 11 27.990 -27.383 5.667 60 H LEU 12 H LEU 12 25.699 -21.117 2.648 61 HA LEU 12 HA LEU 12 25.717 -19.430 5.012 62 HB2 LEU 12 1HB LEU 12 26.779 -19.006 2.216 63 HB3 LEU 12 2HB LEU 12 26.928 -17.858 3.531 64 HG LEU 12 HG LEU 12 28.038 -20.667 3.692 65 HD11 LEU 12 1HD1 LEU 12 29.430 -18.158 2.717 66 HD12 LEU 12 2HD1 LEU 12 30.237 -19.693 3.117 67 HD13 LEU 12 3HD1 LEU 12 29.073 -19.624 1.773 68 HD21 LEU 12 1HD2 LEU 12 27.605 -19.037 5.734 69 HD22 LEU 12 2HD2 LEU 12 29.064 -20.051 5.637 70 HD23 LEU 12 3HD2 LEU 12 29.145 -18.331 5.188 71 H ARG 13 H ARG 13 24.796 -17.206 4.887 72 HA ARG 13 HA ARG 13 22.187 -17.192 4.487 73 HB2 ARG 13 1HB ARG 13 24.150 -14.890 4.043 74 HB3 ARG 13 2HB ARG 13 22.417 -14.649 4.141 75 HG2 ARG 13 1HG ARG 13 22.584 -14.586 6.399 76 HG3 ARG 13 2HG ARG 13 23.073 -16.268 6.387 77 HD2 ARG 13 1HD ARG 13 25.361 -15.758 6.517 78 HD3 ARG 13 2HD ARG 13 25.172 -14.201 5.735 79 HE ARG 13 HE ARG 13 25.074 -14.683 8.561 80 HH11 ARG 13 2HH2 ARG 13 23.463 -12.783 6.075 81 HH12 ARG 13 1HH2 ARG 13 22.995 -11.519 7.164 82 HH21 ARG 13 2HH1 ARG 13 24.457 -13.016 9.998 83 HH22 ARG 13 1HH1 ARG 13 23.565 -11.653 9.410 84 H VAL 14 H VAL 14 20.810 -17.391 2.742 85 HA VAL 14 HA VAL 14 21.982 -16.993 0.091 86 HB VAL 14 HB VAL 14 20.773 -19.150 1.038 87 HG11 VAL 14 1HG1 VAL 14 18.681 -18.045 1.639 88 HG12 VAL 14 2HG1 VAL 14 18.467 -17.491 -0.040 89 HG13 VAL 14 3HG1 VAL 14 18.404 -19.229 0.339 90 HG21 VAL 14 1HG2 VAL 14 21.776 -18.877 -1.204 91 HG22 VAL 14 2HG2 VAL 14 20.252 -19.796 -1.257 92 HG23 VAL 14 3HG2 VAL 14 20.281 -18.091 -1.766 93 H ARG 15 H ARG 15 21.272 -15.391 -1.265 94 HA ARG 15 HA ARG 15 19.743 -13.356 -0.120 95 HB2 ARG 15 1HB ARG 15 21.051 -13.899 -2.763 96 HB3 ARG 15 2HB ARG 15 19.736 -12.740 -2.802 97 HG2 ARG 15 1HG ARG 15 20.957 -11.676 -0.703 98 HG3 ARG 15 2HG ARG 15 22.346 -12.583 -1.267 99 HD2 ARG 15 1HD ARG 15 21.402 -11.397 -3.620 100 HD3 ARG 15 2HD ARG 15 21.094 -10.159 -2.419 101 HE ARG 15 HE ARG 15 23.392 -9.792 -2.282 102 HH11 ARG 15 2HH2 ARG 15 22.849 -13.037 -3.530 103 HH12 ARG 15 1HH2 ARG 15 24.530 -13.350 -3.807 104 HH21 ARG 15 2HH1 ARG 15 25.610 -10.205 -2.647 105 HH22 ARG 15 1HH1 ARG 15 26.111 -11.729 -3.301 106 H GLN 16 H GLN 16 17.807 -14.775 0.453 107 HA GLN 16 HA GLN 16 16.186 -15.462 -1.834 108 HB2 GLN 16 1HB GLN 16 16.509 -17.042 0.125 109 HB3 GLN 16 2HB GLN 16 15.620 -15.914 1.128 110 HG2 GLN 16 1HG GLN 16 14.034 -17.571 0.367 111 HG3 GLN 16 2HG GLN 16 13.675 -16.092 -0.500 112 HE21 GLN 16 1HE2 GLN 16 16.134 -18.645 -0.867 113 HE22 GLN 16 2HE2 GLN 16 15.800 -19.036 -2.522 114 H LEU 17 H LEU 17 14.127 -14.538 -2.271 115 HA LEU 17 HA LEU 17 13.851 -11.846 -1.665 116 HB2 LEU 17 1HB LEU 17 11.791 -13.845 -2.609 117 HB3 LEU 17 2HB LEU 17 11.591 -12.104 -2.631 118 HG LEU 17 HG LEU 17 12.295 -12.277 -4.752 119 HD11 LEU 17 1HD1 LEU 17 14.900 -12.492 -3.240 120 HD12 LEU 17 2HD1 LEU 17 14.829 -12.286 -5.007 121 HD13 LEU 17 3HD1 LEU 17 14.129 -11.047 -3.938 122 HD21 LEU 17 1HD2 LEU 17 12.203 -14.465 -5.307 123 HD22 LEU 17 2HD2 LEU 17 13.975 -14.299 -5.326 124 HD23 LEU 17 3HD2 LEU 17 13.161 -14.983 -3.899 125 HA PRO 18 HA PRO 18 12.001 -11.881 2.236 126 HB2 PRO 18 1HB PRO 18 10.822 -9.416 2.271 127 HB3 PRO 18 2HB PRO 18 12.528 -9.666 2.581 128 HG2 PRO 18 1HG PRO 18 11.224 -8.587 0.158 129 HG3 PRO 18 2HG PRO 18 12.899 -8.453 0.655 130 HD2 PRO 18 1HD PRO 18 11.841 -10.197 -1.362 131 HD3 PRO 18 2HD PRO 18 13.495 -10.145 -0.784 132 H HIS 19 H HIS 19 9.809 -11.219 3.428 133 HA HIS 19 HA HIS 19 7.858 -12.714 1.880 134 HB2 HIS 19 1HB HIS 19 8.120 -12.005 4.803 135 HB3 HIS 19 2HB HIS 19 6.628 -12.645 4.143 136 HD1 HIS 19 1HD HIS 19 8.227 -14.235 6.267 137 HD2 HIS 19 2HD HIS 19 8.634 -14.770 2.126 138 HE1 HIS 19 1HE HIS 19 9.158 -16.587 5.938 139 H ALA 20 H ALA 20 5.704 -11.928 1.508 140 HA ALA 20 HA ALA 20 5.608 -9.205 0.846 141 HB1 ALA 20 1HB ALA 20 3.022 -9.927 0.764 142 HB2 ALA 20 2HB ALA 20 4.195 -10.464 -0.463 143 HB3 ALA 20 3HB ALA 20 3.746 -11.550 0.874 144 HA PRO 21 HA PRO 21 4.106 -7.392 4.473 145 HB2 PRO 21 1HB PRO 21 2.407 -5.449 3.574 146 HB3 PRO 21 2HB PRO 21 4.151 -5.277 3.565 147 HG2 PRO 21 1HG PRO 21 2.328 -5.801 1.297 148 HG3 PRO 21 2HG PRO 21 3.979 -5.212 1.265 149 HD2 PRO 21 1HD PRO 21 3.094 -7.872 0.658 150 HD3 PRO 21 2HD PRO 21 4.752 -7.312 0.739 151 H GLU 22 H GLU 22 2.833 -7.953 6.132 152 HA GLU 22 HA GLU 22 0.379 -9.235 5.289 153 HB2 GLU 22 1HB GLU 22 2.286 -9.566 7.512 154 HB3 GLU 22 2HB GLU 22 0.620 -9.579 8.056 155 HG2 GLU 22 1HG GLU 22 0.294 -11.209 5.948 156 HG3 GLU 22 2HG GLU 22 2.014 -11.471 6.159 157 H HIS 23 H HIS 23 -1.413 -8.978 7.246 158 HA HIS 23 HA HIS 23 -3.050 -7.565 7.770 159 HB2 HIS 23 1HB HIS 23 -0.840 -7.339 9.501 160 HB3 HIS 23 2HB HIS 23 -1.425 -5.702 9.285 161 HD1 HIS 23 1HD HIS 23 -4.345 -5.748 9.422 162 HD2 HIS 23 2HD HIS 23 -2.059 -8.469 11.651 163 HE1 HIS 23 1HE HIS 23 -5.843 -6.550 11.326 164 HA PRO 24 HA PRO 24 -1.776 -4.296 4.789 165 HB2 PRO 24 1HB PRO 24 -2.994 -5.207 2.519 166 HB3 PRO 24 2HB PRO 24 -1.298 -5.472 2.868 167 HG2 PRO 24 1HG PRO 24 -3.545 -7.386 3.029 168 HG3 PRO 24 2HG PRO 24 -1.825 -7.716 2.956 169 HD2 PRO 24 1HD PRO 24 -3.501 -7.845 5.280 170 HD3 PRO 24 2HD PRO 24 -1.762 -8.061 5.228 171 H VAL 25 H VAL 25 -3.084 -3.115 6.308 172 HA VAL 25 HA VAL 25 -5.901 -3.112 5.550 173 HB VAL 25 HB VAL 25 -4.727 -1.507 7.786 174 HG11 VAL 25 1HG1 VAL 25 -7.219 -3.114 8.047 175 HG12 VAL 25 2HG1 VAL 25 -6.847 -1.468 8.611 176 HG13 VAL 25 3HG1 VAL 25 -7.258 -1.752 6.903 177 HG21 VAL 25 1HG2 VAL 25 -5.250 -3.688 9.179 178 HG22 VAL 25 2HG2 VAL 25 -4.881 -4.500 7.638 179 HG23 VAL 25 3HG2 VAL 25 -3.663 -3.455 8.408 180 H ALA 26 H ALA 26 -6.754 -1.548 4.271 181 HA ALA 26 HA ALA 26 -5.182 0.918 3.984 182 HB1 ALA 26 1HB ALA 26 -6.727 -0.451 1.755 183 HB2 ALA 26 2HB ALA 26 -5.575 0.900 1.623 184 HB3 ALA 26 3HB ALA 26 -4.992 -0.729 2.042 185 H THR 27 H THR 27 -6.364 2.434 5.060 186 HA THR 27 HA THR 27 -9.236 2.531 4.423 187 HB THR 27 HB THR 27 -9.145 3.550 6.951 188 HG1 THR 27 1HG THR 27 -7.172 1.392 6.750 189 HG21 THR 27 1HG2 THR 27 -9.823 1.360 7.805 190 HG22 THR 27 2HG2 THR 27 -10.498 1.523 6.166 191 HG23 THR 27 3HG2 THR 27 -9.042 0.535 6.436 192 H LEU 28 H LEU 28 -10.198 4.645 4.414 193 HA LEU 28 HA LEU 28 -8.809 6.508 3.027 194 HB2 LEU 28 1HB LEU 28 -11.300 6.381 4.530 195 HB3 LEU 28 2HB LEU 28 -10.611 7.993 4.528 196 HG LEU 28 HG LEU 28 -11.298 6.331 2.089 197 HD11 LEU 28 1HD1 LEU 28 -12.568 8.949 2.409 198 HD12 LEU 28 2HD1 LEU 28 -13.274 7.366 2.001 199 HD13 LEU 28 3HD1 LEU 28 -12.981 7.799 3.703 200 HD21 LEU 28 1HD2 LEU 28 -10.088 7.672 0.793 201 HD22 LEU 28 2HD2 LEU 28 -10.712 9.134 1.593 202 HD23 LEU 28 3HD2 LEU 28 -9.313 8.273 2.278 203 H SER 29 H SER 29 -8.294 8.854 3.810 204 HA SER 29 HA SER 29 -6.472 8.501 6.026 205 HB2 SER 29 1HB SER 29 -6.151 9.678 3.555 206 HB3 SER 29 2HB SER 29 -6.495 11.083 4.544 207 HG SER 29 HG SER 29 -4.770 9.720 6.005 208 H THR 30 H THR 30 -9.466 10.105 5.075 209 HA THR 30 HA THR 30 -10.786 11.603 6.081 210 HB THR 30 HB THR 30 -11.527 10.787 8.162 211 HG1 THR 30 1HG THR 30 -8.705 10.114 8.615 212 HG21 THR 30 1HG2 THR 30 -9.659 8.468 7.939 213 HG22 THR 30 2HG2 THR 30 -11.437 8.482 8.014 214 HG23 THR 30 3HG2 THR 30 -10.609 8.801 6.471 215 H VAL 31 H VAL 31 -7.848 12.328 5.682 216 HA VAL 31 HA VAL 31 -7.995 14.692 7.382 217 HB VAL 31 HB VAL 31 -5.582 14.496 7.875 218 HG11 VAL 31 1HG1 VAL 31 -7.071 13.879 9.627 219 HG12 VAL 31 2HG1 VAL 31 -7.430 12.310 8.868 220 HG13 VAL 31 3HG1 VAL 31 -5.820 12.615 9.563 221 HG21 VAL 31 1HG2 VAL 31 -4.688 13.096 6.218 222 HG22 VAL 31 2HG2 VAL 31 -4.640 12.100 7.692 223 HG23 VAL 31 3HG2 VAL 31 -5.918 11.837 6.482 224 H GLU 32 H GLU 32 -6.094 12.981 4.798 225 HA GLU 32 HA GLU 32 -5.734 15.557 3.533 226 HB2 GLU 32 1HB GLU 32 -4.130 13.222 3.789 227 HB3 GLU 32 2HB GLU 32 -4.548 13.320 2.090 228 HG2 GLU 32 1HG GLU 32 -3.333 15.588 3.740 229 HG3 GLU 32 2HG GLU 32 -2.455 14.578 2.609 230 H ARG 33 H ARG 33 -6.925 16.204 1.779 231 HA ARG 33 HA ARG 33 -9.143 14.824 1.017 232 HB2 ARG 33 1HB ARG 33 -7.513 16.918 -0.504 233 HB3 ARG 33 2HB ARG 33 -9.102 16.388 -1.018 234 HG2 ARG 33 1HG ARG 33 -8.976 17.163 1.848 235 HG3 ARG 33 2HG ARG 33 -8.604 18.476 0.749 236 HD2 ARG 33 1HD ARG 33 -10.770 17.613 -0.551 237 HD3 ARG 33 2HD ARG 33 -11.165 16.878 0.990 238 HE ARG 33 HE ARG 33 -10.406 19.582 1.489 239 HH11 ARG 33 2HH2 ARG 33 -12.994 17.782 -0.076 240 HH12 ARG 33 1HH2 ARG 33 -14.185 19.011 0.196 241 HH21 ARG 33 2HH1 ARG 33 -11.977 21.202 1.847 242 HH22 ARG 33 1HH1 ARG 33 -13.602 20.969 1.296 243 H ARG 34 H ARG 34 -9.527 13.120 -0.391 244 HA ARG 34 HA ARG 34 -9.153 11.489 -1.758 245 HB2 ARG 34 1HB ARG 34 -7.155 13.209 -3.288 246 HB3 ARG 34 2HB ARG 34 -8.228 11.982 -3.932 247 HG2 ARG 34 1HG ARG 34 -9.479 14.328 -2.508 248 HG3 ARG 34 2HG ARG 34 -8.808 14.607 -4.103 249 HD2 ARG 34 1HD ARG 34 -10.316 13.110 -5.153 250 HD3 ARG 34 2HD ARG 34 -10.632 12.226 -3.674 251 HE ARG 34 HE ARG 34 -11.991 14.637 -4.570 252 HH11 ARG 34 2HH2 ARG 34 -11.030 12.837 -1.703 253 HH12 ARG 34 1HH2 ARG 34 -12.285 13.500 -0.710 254 HH21 ARG 34 2HH1 ARG 34 -13.647 15.512 -3.261 255 HH22 ARG 34 1HH1 ARG 34 -13.783 15.032 -1.602 256 H ALA 35 H ALA 35 -7.768 10.989 0.458 257 HA ALA 35 HA ALA 35 -5.266 9.871 -0.538 258 HB1 ALA 35 1HB ALA 35 -4.098 10.645 1.522 259 HB2 ALA 35 2HB ALA 35 -4.628 11.997 0.494 260 HB3 ALA 35 3HB ALA 35 -5.543 11.585 1.964 261 H ILE 36 H ILE 36 -4.621 7.950 0.595 262 HA ILE 36 HA ILE 36 -6.650 6.966 2.475 263 HB ILE 36 HB ILE 36 -5.473 5.612 0.063 264 HG12 ILE 36 1HG1 ILE 36 -8.338 5.826 1.024 265 HG13 ILE 36 2HG1 ILE 36 -7.601 6.947 -0.104 266 HG21 ILE 36 1HG2 ILE 36 -6.958 3.651 1.199 267 HG22 ILE 36 2HG2 ILE 36 -5.191 3.793 1.357 268 HG23 ILE 36 3HG2 ILE 36 -6.252 4.409 2.647 269 HD11 ILE 36 1HD1 ILE 36 -7.026 4.968 -1.594 270 HD12 ILE 36 2HD1 ILE 36 -7.982 3.946 -0.494 271 HD13 ILE 36 3HD1 ILE 36 -8.771 5.260 -1.398 272 H ASN 37 H ASN 37 -5.873 5.754 4.230 273 HA ASN 37 HA ASN 37 -3.056 6.146 4.665 274 HB2 ASN 37 1HB ASN 37 -5.416 6.087 6.310 275 HB3 ASN 37 2HB ASN 37 -4.411 4.753 6.840 276 HD21 ASN 37 1HD2 ASN 37 -5.112 7.842 7.428 277 HD22 ASN 37 2HD2 ASN 37 -3.620 8.444 8.068 278 H LEU 38 H LEU 38 -1.803 4.474 3.778 279 HA LEU 38 HA LEU 38 -2.890 1.781 3.787 280 HB2 LEU 38 1HB LEU 38 -1.511 3.180 1.926 281 HB3 LEU 38 2HB LEU 38 -0.193 2.333 2.710 282 HG LEU 38 HG LEU 38 -1.437 1.309 0.631 283 HD11 LEU 38 1HD1 LEU 38 -0.675 -0.857 1.250 284 HD12 LEU 38 2HD1 LEU 38 0.432 0.320 1.998 285 HD13 LEU 38 3HD1 LEU 38 -0.812 -0.485 2.985 286 HD21 LEU 38 1HD2 LEU 38 -3.326 0.006 1.010 287 HD22 LEU 38 2HD2 LEU 38 -3.116 0.030 2.777 288 HD23 LEU 38 3HD2 LEU 38 -3.664 1.494 1.926 289 H THR 39 H THR 39 -2.321 0.225 5.228 290 HA THR 39 HA THR 39 0.150 0.606 6.744 291 HB THR 39 HB THR 39 -1.045 0.312 8.866 292 HG1 THR 39 1HG THR 39 -3.380 -0.041 8.705 293 HG21 THR 39 1HG2 THR 39 -2.295 2.333 9.005 294 HG22 THR 39 2HG2 THR 39 -1.194 2.652 7.644 295 HG23 THR 39 3HG2 THR 39 -2.883 2.187 7.332 296 H TRP 40 H TRP 40 1.300 -1.225 7.007 297 HA TRP 40 HA TRP 40 -0.122 -3.757 6.697 298 HB2 TRP 40 1HB TRP 40 1.564 -4.594 5.142 299 HB3 TRP 40 2HB TRP 40 0.623 -3.279 4.467 300 HD1 TRP 40 HD TRP 40 4.202 -4.224 5.279 301 HE1 TRP 40 1HE TRP 40 5.917 -2.358 4.542 302 HE3 TRP 40 3HE TRP 40 0.709 -0.664 4.289 303 HZ2 TRP 40 2HZ TRP 40 5.627 0.336 3.649 304 HZ3 TRP 40 3HZ TRP 40 1.509 1.557 3.489 305 HH2 TRP 40 HH TRP 40 3.874 2.084 3.165 306 H THR 41 H THR 41 1.950 -5.512 6.974 307 HA THR 41 HA THR 41 3.217 -4.622 9.479 308 HB THR 41 HB THR 41 2.041 -7.251 8.502 309 HG1 THR 41 1HG THR 41 1.174 -6.932 10.756 310 HG21 THR 41 1HG2 THR 41 4.336 -7.755 9.453 311 HG22 THR 41 2HG2 THR 41 3.879 -6.859 10.922 312 HG23 THR 41 3HG2 THR 41 3.016 -8.353 10.486 313 H LYS 42 H LYS 42 5.378 -5.421 9.955 314 HA LYS 42 HA LYS 42 6.991 -5.272 7.582 315 HB2 LYS 42 1HB LYS 42 7.480 -4.076 9.749 316 HB3 LYS 42 2HB LYS 42 7.864 -5.631 10.460 317 HG2 LYS 42 1HG LYS 42 9.218 -5.252 7.871 318 HG3 LYS 42 2HG LYS 42 9.622 -3.979 9.006 319 HD2 LYS 42 1HD LYS 42 10.451 -5.543 10.638 320 HD3 LYS 42 2HD LYS 42 9.707 -6.907 9.830 321 HE2 LYS 42 1HE LYS 42 11.298 -6.893 8.055 322 HE3 LYS 42 2HE LYS 42 11.780 -5.238 8.370 323 HZ1 LYS 42 1HZ LYS 42 12.273 -7.480 10.205 324 HZ2 LYS 42 2HZ LYS 42 13.377 -6.864 9.172 325 HZ3 LYS 42 3HZ LYS 42 12.802 -5.947 10.394 326 HA PRO 43 HA PRO 43 7.027 -9.642 7.284 327 HB2 PRO 43 1HB PRO 43 8.147 -9.785 4.796 328 HB3 PRO 43 2HB PRO 43 6.424 -9.612 5.062 329 HG2 PRO 43 1HG PRO 43 8.374 -7.578 4.170 330 HG3 PRO 43 2HG PRO 43 6.627 -7.556 4.037 331 HD2 PRO 43 1HD PRO 43 8.223 -6.102 5.926 332 HD3 PRO 43 2HD PRO 43 6.473 -6.171 5.866 333 H PHE 44 H PHE 44 8.724 -11.390 6.616 334 HA PHE 44 HA PHE 44 11.004 -10.702 8.227 335 HB2 PHE 44 1HB PHE 44 9.991 -12.914 8.469 336 HB3 PHE 44 2HB PHE 44 9.910 -13.142 6.733 337 HD1 PHE 44 1HD PHE 44 12.261 -12.953 9.589 338 HD2 PHE 44 2HD PHE 44 11.683 -14.166 5.564 339 HE1 PHE 44 1HE PHE 44 14.441 -14.196 9.650 340 HE2 PHE 44 2HE PHE 44 13.863 -15.408 5.625 341 HZ PHE 44 HZ PHE 44 15.216 -15.408 7.667 342 H ASP 45 H ASP 45 13.260 -11.165 7.495 343 HA ASP 45 HA ASP 45 13.518 -10.293 4.741 344 HB2 ASP 45 1HB ASP 45 15.700 -9.485 5.344 345 HB3 ASP 45 2HB ASP 45 14.631 -9.021 6.652 346 H GLY 46 H GLY 46 14.283 -11.779 3.217 347 HA2 GLY 46 1HA GLY 46 14.624 -14.470 3.756 348 HA3 GLY 46 2HA GLY 46 15.200 -13.629 2.330 349 H ASN 47 H ASN 47 16.953 -11.758 3.914 350 HA ASN 47 HA ASN 47 18.678 -13.043 5.558 351 HB2 ASN 47 1HB ASN 47 19.081 -13.768 2.707 352 HB3 ASN 47 2HB ASN 47 20.529 -13.113 3.445 353 HD21 ASN 47 1HD2 ASN 47 18.939 -15.864 2.796 354 HD22 ASN 47 2HD2 ASN 47 19.505 -16.910 4.055 355 H SER 48 H SER 48 18.161 -10.867 2.763 356 HA SER 48 HA SER 48 20.257 -9.115 3.713 357 HB2 SER 48 1HB SER 48 19.522 -9.823 1.171 358 HB3 SER 48 2HB SER 48 18.600 -8.343 1.351 359 HG SER 48 HG SER 48 21.429 -8.528 1.937 360 HA PRO 49 HA PRO 49 17.393 -6.342 5.455 361 HB2 PRO 49 1HB PRO 49 18.680 -3.941 5.234 362 HB3 PRO 49 2HB PRO 49 19.055 -5.119 6.476 363 HG2 PRO 49 1HG PRO 49 20.582 -4.448 4.036 364 HG3 PRO 49 2HG PRO 49 21.127 -5.286 5.475 365 HD2 PRO 49 1HD PRO 49 20.474 -6.468 2.944 366 HD3 PRO 49 2HD PRO 49 20.906 -7.315 4.416 367 H LEU 50 H LEU 50 15.493 -5.362 5.007 368 HA LEU 50 HA LEU 50 14.700 -5.191 2.399 369 HB2 LEU 50 1HB LEU 50 13.697 -3.588 4.756 370 HB3 LEU 50 2HB LEU 50 12.846 -3.821 3.242 371 HG LEU 50 HG LEU 50 13.566 -5.997 5.225 372 HD11 LEU 50 1HD1 LEU 50 11.780 -5.213 6.317 373 HD12 LEU 50 2HD1 LEU 50 11.245 -4.226 4.936 374 HD13 LEU 50 3HD1 LEU 50 10.831 -5.955 5.006 375 HD21 LEU 50 1HD2 LEU 50 12.917 -6.157 2.432 376 HD22 LEU 50 2HD2 LEU 50 13.283 -7.462 3.586 377 HD23 LEU 50 3HD2 LEU 50 11.609 -6.889 3.392 378 H ILE 51 H ILE 51 14.672 -3.625 0.784 379 HA ILE 51 HA ILE 51 16.444 -1.352 1.318 380 HB ILE 51 HB ILE 51 15.813 -2.961 -1.136 381 HG12 ILE 51 1HG1 ILE 51 18.368 -2.169 0.288 382 HG13 ILE 51 2HG1 ILE 51 17.640 -3.762 0.232 383 HG21 ILE 51 1HG2 ILE 51 17.217 -1.251 -2.383 384 HG22 ILE 51 2HG2 ILE 51 15.549 -0.775 -1.983 385 HG23 ILE 51 3HG2 ILE 51 16.909 -0.148 -1.020 386 HD11 ILE 51 1HD1 ILE 51 18.944 -2.215 -2.034 387 HD12 ILE 51 2HD1 ILE 51 19.343 -3.839 -1.426 388 HD13 ILE 51 3HD1 ILE 51 17.848 -3.581 -2.357 389 H ARG 52 H ARG 52 13.420 -2.278 -0.471 390 HA ARG 52 HA ARG 52 12.168 0.059 0.503 391 HB2 ARG 52 1HB ARG 52 11.884 1.285 -1.528 392 HB3 ARG 52 2HB ARG 52 13.577 0.833 -1.540 393 HG2 ARG 52 1HG ARG 52 12.968 -1.191 -2.950 394 HG3 ARG 52 2HG ARG 52 11.321 -0.598 -3.020 395 HD2 ARG 52 1HD ARG 52 12.263 0.257 -5.014 396 HD3 ARG 52 2HD ARG 52 12.365 1.628 -3.927 397 HE ARG 52 HE ARG 52 14.767 0.210 -3.565 398 HH11 ARG 52 2HH2 ARG 52 13.124 1.820 -6.227 399 HH12 ARG 52 1HH2 ARG 52 14.590 2.225 -7.056 400 HH21 ARG 52 2HH1 ARG 52 16.702 0.744 -4.658 401 HH22 ARG 52 1HH1 ARG 52 16.639 1.608 -6.157 402 H TYR 53 H TYR 53 9.924 0.262 -1.033 403 HA TYR 53 HA TYR 53 9.024 -2.476 -1.563 404 HB2 TYR 53 1HB TYR 53 7.959 -0.290 0.299 405 HB3 TYR 53 2HB TYR 53 6.835 -1.448 -0.382 406 HD1 TYR 53 2HD TYR 53 10.114 -1.400 1.449 407 HD2 TYR 53 1HD TYR 53 6.365 -3.368 0.838 408 HE1 TYR 53 2HE TYR 53 10.663 -3.039 3.313 409 HE2 TYR 53 1HE TYR 53 6.927 -5.001 2.704 410 HH TYR 53 HH TYR 53 8.960 -4.524 4.962 411 H ILE 54 H ILE 54 7.491 -2.665 -3.219 412 HA ILE 54 HA ILE 54 7.018 -0.163 -4.672 413 HB ILE 54 HB ILE 54 7.056 -3.030 -5.622 414 HG12 ILE 54 1HG1 ILE 54 8.988 -0.792 -6.277 415 HG13 ILE 54 2HG1 ILE 54 9.267 -1.959 -5.000 416 HG21 ILE 54 1HG2 ILE 54 6.542 -2.309 -7.774 417 HG22 ILE 54 2HG2 ILE 54 5.428 -1.373 -6.749 418 HG23 ILE 54 3HG2 ILE 54 6.896 -0.605 -7.400 419 HD11 ILE 54 1HD1 ILE 54 10.374 -2.673 -7.093 420 HD12 ILE 54 2HD1 ILE 54 9.090 -3.822 -6.645 421 HD13 ILE 54 3HD1 ILE 54 8.810 -2.636 -7.942 422 H LEU 55 H LEU 55 5.141 0.674 -3.822 423 HA LEU 55 HA LEU 55 2.944 -1.139 -3.301 424 HB2 LEU 55 1HB LEU 55 3.443 0.548 -1.662 425 HB3 LEU 55 2HB LEU 55 3.336 1.821 -2.861 426 HG LEU 55 HG LEU 55 1.360 1.309 -1.181 427 HD11 LEU 55 1HD1 LEU 55 0.414 1.820 -3.963 428 HD12 LEU 55 2HD1 LEU 55 0.065 2.689 -2.449 429 HD13 LEU 55 3HD1 LEU 55 1.626 2.925 -3.272 430 HD21 LEU 55 1HD2 LEU 55 0.981 -0.989 -1.698 431 HD22 LEU 55 2HD2 LEU 55 -0.404 -0.062 -2.322 432 HD23 LEU 55 3HD2 LEU 55 0.855 -0.642 -3.439 433 H GLU 56 H GLU 56 1.809 -1.832 -5.040 434 HA GLU 56 HA GLU 56 1.439 0.088 -7.189 435 HB2 GLU 56 1HB GLU 56 1.439 -2.926 -7.035 436 HB3 GLU 56 2HB GLU 56 0.529 -2.152 -8.318 437 HG2 GLU 56 1HG GLU 56 2.490 -1.066 -9.203 438 HG3 GLU 56 2HG GLU 56 3.427 -1.404 -7.761 439 H MET 57 H MET 57 -0.521 1.076 -7.447 440 HA MET 57 HA MET 57 -2.706 -0.010 -5.871 441 HB2 MET 57 1HB MET 57 -2.162 2.351 -5.442 442 HB3 MET 57 2HB MET 57 -2.161 2.719 -7.155 443 HG2 MET 57 1HG MET 57 -4.634 2.066 -7.215 444 HG3 MET 57 2HG MET 57 -4.583 1.926 -5.469 445 HE1 MET 57 1HE MET 57 -4.783 5.124 -8.326 446 HE2 MET 57 2HE MET 57 -3.127 5.464 -7.769 447 HE3 MET 57 3HE MET 57 -3.545 3.846 -8.384 448 H SER 58 H SER 58 -4.814 -0.355 -6.791 449 HA SER 58 HA SER 58 -4.782 -0.371 -9.708 450 HB2 SER 58 1HB SER 58 -4.857 -2.640 -9.458 451 HB3 SER 58 2HB SER 58 -5.343 -2.541 -7.778 452 HG SER 58 HG SER 58 -7.022 -2.334 -10.121 453 H GLU 59 H GLU 59 -6.142 1.286 -10.314 454 HA GLU 59 HA GLU 59 -8.181 2.188 -8.612 455 HB2 GLU 59 1HB GLU 59 -6.804 3.259 -10.722 456 HB3 GLU 59 2HB GLU 59 -8.319 2.875 -11.515 457 HG2 GLU 59 1HG GLU 59 -9.547 4.385 -10.230 458 HG3 GLU 59 2HG GLU 59 -8.503 4.219 -8.832 459 H ASN 60 H ASN 60 -10.387 2.666 -10.338 460 HA ASN 60 HA ASN 60 -11.854 0.418 -9.962 461 HB2 ASN 60 1HB ASN 60 -12.110 2.848 -11.738 462 HB3 ASN 60 2HB ASN 60 -13.221 1.524 -12.033 463 HD21 ASN 60 1HD2 ASN 60 -14.486 3.619 -11.359 464 HD22 ASN 60 2HD2 ASN 60 -14.998 3.672 -9.705 465 H ASN 61 H ASN 61 -11.115 -1.576 -10.808 466 HA ASN 61 HA ASN 61 -10.585 -3.114 -12.240 467 HB2 ASN 61 1HB ASN 61 -12.537 -1.448 -13.641 468 HB3 ASN 61 2HB ASN 61 -11.406 -2.117 -14.801 469 HD21 ASN 61 1HD2 ASN 61 -14.279 -2.608 -13.441 470 HD22 ASN 61 2HD2 ASN 61 -14.407 -4.336 -13.457 471 H ALA 62 H ALA 62 -8.842 -0.601 -11.862 472 HA ALA 62 HA ALA 62 -7.520 -0.341 -14.424 473 HB1 ALA 62 1HB ALA 62 -7.467 1.722 -13.448 474 HB2 ALA 62 2HB ALA 62 -7.564 1.061 -11.798 475 HB3 ALA 62 3HB ALA 62 -6.007 1.075 -12.661 476 HA PRO 63 HA PRO 63 -4.487 -3.294 -13.526 477 HB2 PRO 63 1HB PRO 63 -2.474 -2.499 -15.194 478 HB3 PRO 63 2HB PRO 63 -3.859 -3.425 -15.737 479 HG2 PRO 63 1HG PRO 63 -3.277 -0.553 -16.134 480 HG3 PRO 63 2HG PRO 63 -4.404 -1.576 -17.004 481 HD2 PRO 63 1HD PRO 63 -5.049 0.361 -14.989 482 HD3 PRO 63 2HD PRO 63 -6.159 -0.743 -15.776 483 H TRP 64 H TRP 64 -2.732 -3.823 -12.233 484 HA TRP 64 HA TRP 64 -2.162 -2.134 -10.207 485 HB2 TRP 64 1HB TRP 64 -0.294 -4.162 -11.449 486 HB3 TRP 64 2HB TRP 64 -0.116 -3.457 -9.854 487 HD1 TRP 64 HD TRP 64 -1.439 -6.500 -11.363 488 HE1 TRP 64 1HE TRP 64 -3.133 -7.828 -9.837 489 HE3 TRP 64 3HE TRP 64 -2.280 -2.702 -8.090 490 HZ2 TRP 64 2HZ TRP 64 -4.602 -7.156 -7.484 491 HZ3 TRP 64 3HZ TRP 64 -3.858 -3.120 -6.206 492 HH2 TRP 64 HH TRP 64 -5.001 -5.256 -5.875 493 H THR 65 H THR 65 -1.398 -0.064 -10.234 494 HA THR 65 HA THR 65 0.626 0.582 -12.277 495 HB THR 65 HB THR 65 -1.856 1.631 -12.193 496 HG1 THR 65 1HG THR 65 0.696 3.074 -12.384 497 HG21 THR 65 1HG2 THR 65 -1.521 2.492 -9.806 498 HG22 THR 65 2HG2 THR 65 -0.202 3.511 -10.431 499 HG23 THR 65 3HG2 THR 65 -1.870 3.768 -10.997 500 H VAL 66 H VAL 66 2.616 0.711 -11.469 501 HA VAL 66 HA VAL 66 3.184 0.766 -8.765 502 HB VAL 66 HB VAL 66 4.769 1.554 -11.210 503 HG11 VAL 66 1HG1 VAL 66 6.053 2.667 -9.678 504 HG12 VAL 66 2HG1 VAL 66 5.507 1.658 -8.316 505 HG13 VAL 66 3HG1 VAL 66 6.717 1.030 -9.461 506 HG21 VAL 66 1HG2 VAL 66 4.872 -0.925 -9.457 507 HG22 VAL 66 2HG2 VAL 66 4.059 -0.811 -11.036 508 HG23 VAL 66 3HG2 VAL 66 5.826 -0.624 -10.930 509 H LEU 67 H LEU 67 2.277 2.312 -7.454 510 HA LEU 67 HA LEU 67 2.205 5.049 -8.350 511 HB2 LEU 67 1HB LEU 67 0.982 3.413 -6.249 512 HB3 LEU 67 2HB LEU 67 1.429 5.021 -5.713 513 HG LEU 67 HG LEU 67 -0.501 4.245 -7.898 514 HD11 LEU 67 1HD1 LEU 67 -1.778 6.091 -6.438 515 HD12 LEU 67 2HD1 LEU 67 -1.783 4.357 -6.033 516 HD13 LEU 67 3HD1 LEU 67 -0.671 5.464 -5.192 517 HD21 LEU 67 1HD2 LEU 67 0.215 5.991 -9.096 518 HD22 LEU 67 2HD2 LEU 67 -0.576 6.991 -7.854 519 HD23 LEU 67 3HD2 LEU 67 1.168 6.651 -7.745 520 H LEU 68 H LEU 68 3.582 3.335 -5.450 521 HA LEU 68 HA LEU 68 5.647 5.423 -5.419 522 HB2 LEU 68 1HB LEU 68 3.906 4.439 -3.407 523 HB3 LEU 68 2HB LEU 68 5.525 3.912 -2.991 524 HG LEU 68 HG LEU 68 4.824 6.786 -3.635 525 HD11 LEU 68 1HD1 LEU 68 4.354 7.251 -1.450 526 HD12 LEU 68 2HD1 LEU 68 3.721 5.591 -1.544 527 HD13 LEU 68 3HD1 LEU 68 5.323 5.893 -0.830 528 HD21 LEU 68 1HD2 LEU 68 7.071 6.553 -1.924 529 HD22 LEU 68 2HD2 LEU 68 7.305 5.404 -3.263 530 HD23 LEU 68 3HD2 LEU 68 7.013 7.126 -3.608 531 H ALA 69 H ALA 69 7.469 4.739 -6.411 532 HA ALA 69 HA ALA 69 8.046 1.909 -6.488 533 HB1 ALA 69 1HB ALA 69 8.329 3.823 -8.328 534 HB2 ALA 69 2HB ALA 69 9.910 4.016 -7.534 535 HB3 ALA 69 3HB ALA 69 9.453 2.447 -8.239 536 H SER 70 H SER 70 9.464 4.961 -5.153 537 HA SER 70 HA SER 70 11.370 3.327 -3.715 538 HB2 SER 70 1HB SER 70 11.741 5.666 -5.025 539 HB3 SER 70 2HB SER 70 11.324 6.319 -3.453 540 HG SER 70 HG SER 70 13.049 5.078 -2.508 541 H VAL 71 H VAL 71 10.386 2.443 -1.898 542 HA VAL 71 HA VAL 71 9.024 4.363 -0.138 543 HB VAL 71 HB VAL 71 8.356 1.474 -0.726 544 HG11 VAL 71 1HG1 VAL 71 7.878 3.071 1.664 545 HG12 VAL 71 2HG1 VAL 71 6.357 2.527 0.916 546 HG13 VAL 71 3HG1 VAL 71 7.599 1.337 1.375 547 HG21 VAL 71 1HG2 VAL 71 6.099 3.180 -0.923 548 HG22 VAL 71 2HG2 VAL 71 7.427 3.979 -1.797 549 HG23 VAL 71 3HG2 VAL 71 6.947 2.321 -2.232 550 H ASP 72 H ASP 72 9.460 4.169 2.108 551 HA ASP 72 HA ASP 72 12.039 3.245 2.650 552 HB2 ASP 72 1HB ASP 72 9.843 4.618 4.062 553 HB3 ASP 72 2HB ASP 72 10.720 3.534 5.123 554 HA PRO 73 HA PRO 73 10.937 -0.862 3.774 555 HB2 PRO 73 1HB PRO 73 13.274 -1.660 4.945 556 HB3 PRO 73 2HB PRO 73 13.023 -1.657 3.211 557 HG2 PRO 73 1HG PRO 73 14.601 0.223 4.857 558 HG3 PRO 73 2HG PRO 73 14.677 -0.052 3.128 559 HD2 PRO 73 1HD PRO 73 13.429 2.160 4.462 560 HD3 PRO 73 2HD PRO 73 13.405 1.824 2.742 561 H LYS 74 H LYS 74 12.086 1.395 6.125 562 HA LYS 74 HA LYS 74 11.252 -0.256 8.315 563 HB2 LYS 74 1HB LYS 74 11.993 2.681 8.345 564 HB3 LYS 74 2HB LYS 74 11.979 1.569 9.700 565 HG2 LYS 74 1HG LYS 74 13.708 1.035 7.255 566 HG3 LYS 74 2HG LYS 74 14.268 2.082 8.544 567 HD2 LYS 74 1HD LYS 74 15.072 0.113 9.421 568 HD3 LYS 74 2HD LYS 74 13.443 -0.025 10.053 569 HE2 LYS 74 1HE LYS 74 12.907 -1.193 7.741 570 HE3 LYS 74 2HE LYS 74 14.644 -1.395 7.626 571 HZ1 LYS 74 1HZ LYS 74 14.569 -2.469 9.802 572 HZ2 LYS 74 2HZ LYS 74 12.941 -2.351 9.819 573 HZ3 LYS 74 3HZ LYS 74 13.680 -3.271 8.691 574 H ALA 75 H ALA 75 9.795 2.010 6.089 575 HA ALA 75 HA ALA 75 7.653 2.735 7.853 576 HB1 ALA 75 1HB ALA 75 8.782 3.709 5.476 577 HB2 ALA 75 2HB ALA 75 7.174 3.115 4.996 578 HB3 ALA 75 3HB ALA 75 7.325 4.326 6.292 579 H THR 76 H THR 76 5.811 1.600 8.234 580 HA THR 76 HA THR 76 5.302 -0.699 6.464 581 HB THR 76 HB THR 76 3.986 -1.399 8.661 582 HG1 THR 76 1HG THR 76 4.303 0.743 9.630 583 HG21 THR 76 1HG2 THR 76 5.777 -2.775 9.004 584 HG22 THR 76 2HG2 THR 76 6.685 -1.814 7.814 585 HG23 THR 76 3HG2 THR 76 6.767 -1.397 9.542 586 H SER 77 H SER 77 4.401 2.434 6.798 587 HA SER 77 HA SER 77 1.781 1.779 5.777 588 HB2 SER 77 1HB SER 77 0.944 3.843 7.204 589 HB3 SER 77 2HB SER 77 1.012 2.246 7.923 590 HG SER 77 HG SER 77 1.977 3.917 9.278 591 H VAL 78 H VAL 78 0.863 3.551 4.454 592 HA VAL 78 HA VAL 78 2.636 5.797 3.965 593 HB VAL 78 HB VAL 78 3.347 3.875 2.504 594 HG11 VAL 78 1HG1 VAL 78 1.537 2.691 1.766 595 HG12 VAL 78 2HG1 VAL 78 0.499 4.132 1.646 596 HG13 VAL 78 3HG1 VAL 78 1.714 3.803 0.387 597 HG21 VAL 78 1HG2 VAL 78 4.111 5.409 1.061 598 HG22 VAL 78 2HG2 VAL 78 2.471 5.829 0.511 599 HG23 VAL 78 3HG2 VAL 78 3.142 6.592 1.972 600 H THR 79 H THR 79 1.547 7.518 2.718 601 HA THR 79 HA THR 79 -1.383 7.228 2.849 602 HB THR 79 HB THR 79 0.449 9.580 3.543 603 HG1 THR 79 1HG THR 79 -1.512 7.832 4.848 604 HG21 THR 79 1HG2 THR 79 -2.533 9.606 3.993 605 HG22 THR 79 2HG2 THR 79 -1.419 10.973 3.748 606 HG23 THR 79 3HG2 THR 79 -1.951 9.996 2.357 607 H VAL 80 H VAL 80 -2.092 6.913 0.823 608 HA VAL 80 HA VAL 80 -0.672 8.007 -1.398 609 HB VAL 80 HB VAL 80 -3.354 6.627 -1.171 610 HG11 VAL 80 1HG1 VAL 80 -3.489 7.674 -3.239 611 HG12 VAL 80 2HG1 VAL 80 -1.737 7.561 -3.532 612 HG13 VAL 80 3HG1 VAL 80 -2.758 6.109 -3.666 613 HG21 VAL 80 1HG2 VAL 80 -2.263 4.684 -1.032 614 HG22 VAL 80 2HG2 VAL 80 -1.235 5.097 -2.426 615 HG23 VAL 80 3HG2 VAL 80 -0.762 5.609 -0.788 616 H LYS 81 H LYS 81 -1.543 9.558 -2.951 617 HA LYS 81 HA LYS 81 -3.731 11.196 -1.963 618 HB2 LYS 81 1HB LYS 81 -0.984 12.344 -2.544 619 HB3 LYS 81 2HB LYS 81 -2.429 13.269 -2.189 620 HG2 LYS 81 1HG LYS 81 -2.585 12.282 0.054 621 HG3 LYS 81 2HG LYS 81 -1.279 11.167 -0.295 622 HD2 LYS 81 1HD LYS 81 -0.190 13.707 -0.883 623 HD3 LYS 81 2HD LYS 81 -1.146 13.977 0.561 624 HE2 LYS 81 1HE LYS 81 0.004 11.954 1.611 625 HE3 LYS 81 2HE LYS 81 1.048 11.882 0.206 626 HZ1 LYS 81 1HZ LYS 81 0.770 14.304 1.836 627 HZ2 LYS 81 2HZ LYS 81 1.909 13.169 2.124 628 HZ3 LYS 81 3HZ LYS 81 1.911 13.988 0.711 629 H GLY 82 H GLY 82 -4.320 12.893 -3.702 630 HA2 GLY 82 1HA GLY 82 -4.734 13.448 -5.856 631 HA3 GLY 82 2HA GLY 82 -3.430 12.400 -6.376 632 H LEU 83 H LEU 83 -6.098 11.270 -4.277 633 HA LEU 83 HA LEU 83 -6.763 9.304 -6.283 634 HB2 LEU 83 1HB LEU 83 -7.059 9.640 -3.393 635 HB3 LEU 83 2HB LEU 83 -8.488 8.973 -4.157 636 HG LEU 83 HG LEU 83 -7.355 7.059 -4.915 637 HD11 LEU 83 1HD1 LEU 83 -4.814 6.856 -4.606 638 HD12 LEU 83 2HD1 LEU 83 -5.417 7.857 -5.949 639 HD13 LEU 83 3HD1 LEU 83 -4.823 8.630 -4.460 640 HD21 LEU 83 1HD2 LEU 83 -7.655 6.468 -2.758 641 HD22 LEU 83 2HD2 LEU 83 -5.876 6.496 -2.733 642 HD23 LEU 83 3HD2 LEU 83 -6.796 7.894 -2.128 643 H VAL 84 H VAL 84 -9.324 8.842 -6.375 644 HA VAL 84 HA VAL 84 -10.541 11.445 -6.997 645 HB VAL 84 HB VAL 84 -10.793 8.758 -8.356 646 HG11 VAL 84 1HG1 VAL 84 -12.524 9.559 -9.698 647 HG12 VAL 84 2HG1 VAL 84 -12.952 10.183 -8.087 648 HG13 VAL 84 3HG1 VAL 84 -12.195 11.259 -9.286 649 HG21 VAL 84 1HG2 VAL 84 -10.092 10.296 -10.349 650 HG22 VAL 84 2HG2 VAL 84 -9.498 11.381 -9.069 651 HG23 VAL 84 3HG2 VAL 84 -8.856 9.726 -9.201 652 HA PRO 85 HA PRO 85 -13.595 10.306 -4.152 653 HB2 PRO 85 1HB PRO 85 -15.558 12.088 -4.816 654 HB3 PRO 85 2HB PRO 85 -14.186 12.505 -3.808 655 HG2 PRO 85 1HG PRO 85 -14.689 13.206 -6.635 656 HG3 PRO 85 2HG PRO 85 -13.573 13.943 -5.504 657 HD2 PRO 85 1HD PRO 85 -12.918 12.124 -7.623 658 HD3 PRO 85 2HD PRO 85 -11.820 12.770 -6.420 659 H ALA 86 H ALA 86 -15.369 8.986 -3.801 660 HA ALA 86 HA ALA 86 -16.816 7.418 -4.387 661 HB1 ALA 86 1HB ALA 86 -18.570 8.535 -5.233 662 HB2 ALA 86 2HB ALA 86 -17.490 9.790 -5.885 663 HB3 ALA 86 3HB ALA 86 -17.873 8.352 -6.860 664 H ARG 87 H ARG 87 -14.256 6.705 -4.959 665 HA ARG 87 HA ARG 87 -14.685 5.131 -7.326 666 HB2 ARG 87 1HB ARG 87 -12.498 7.187 -6.993 667 HB3 ARG 87 2HB ARG 87 -12.083 5.690 -7.804 668 HG2 ARG 87 1HG ARG 87 -14.429 6.260 -9.089 669 HG3 ARG 87 2HG ARG 87 -13.918 7.888 -8.690 670 HD2 ARG 87 1HD ARG 87 -11.660 7.385 -9.734 671 HD3 ARG 87 2HD ARG 87 -12.270 5.815 -10.219 672 HE ARG 87 HE ARG 87 -14.061 7.908 -11.106 673 HH11 ARG 87 2HH2 ARG 87 -10.967 6.400 -11.841 674 HH12 ARG 87 1HH2 ARG 87 -11.019 6.816 -13.521 675 HH21 ARG 87 2HH1 ARG 87 -14.130 8.457 -13.323 676 HH22 ARG 87 1HH1 ARG 87 -12.830 7.994 -14.370 677 H SER 88 H SER 88 -13.629 3.078 -7.201 678 HA SER 88 HA SER 88 -12.754 2.413 -4.579 679 HB2 SER 88 1HB SER 88 -13.049 0.802 -7.148 680 HB3 SER 88 2HB SER 88 -12.490 0.093 -5.646 681 HG SER 88 HG SER 88 -14.710 -0.246 -5.697 682 H TYR 89 H TYR 89 -10.643 1.617 -3.982 683 HA TYR 89 HA TYR 89 -8.562 1.818 -6.014 684 HB2 TYR 89 1HB TYR 89 -8.941 3.401 -3.418 685 HB3 TYR 89 2HB TYR 89 -7.319 3.110 -4.013 686 HD1 TYR 89 2HD TYR 89 -6.890 3.803 -6.531 687 HD2 TYR 89 1HD TYR 89 -10.087 5.308 -4.119 688 HE1 TYR 89 2HE TYR 89 -7.091 5.831 -8.051 689 HE2 TYR 89 1HE TYR 89 -10.278 7.331 -5.647 690 HH TYR 89 HH TYR 89 -8.176 7.642 -8.497 691 H GLN 90 H GLN 90 -7.134 0.154 -5.829 692 HA GLN 90 HA GLN 90 -7.221 -1.290 -3.298 693 HB2 GLN 90 1HB GLN 90 -6.939 -2.170 -6.165 694 HB3 GLN 90 2HB GLN 90 -6.149 -3.131 -4.931 695 HG2 GLN 90 1HG GLN 90 -8.446 -3.070 -3.681 696 HG3 GLN 90 2HG GLN 90 -9.114 -2.508 -5.200 697 HE21 GLN 90 1HE2 GLN 90 -9.724 -4.932 -3.843 698 HE22 GLN 90 2HE2 GLN 90 -9.297 -6.265 -4.864 699 H PHE 91 H PHE 91 -5.220 -2.023 -2.349 700 HA PHE 91 HA PHE 91 -2.834 -0.806 -3.546 701 HB2 PHE 91 1HB PHE 91 -3.894 -0.874 -0.664 702 HB3 PHE 91 2HB PHE 91 -2.213 -0.511 -1.005 703 HD1 PHE 91 1HD PHE 91 -1.933 1.392 -2.903 704 HD2 PHE 91 2HD PHE 91 -5.296 0.922 -0.358 705 HE1 PHE 91 1HE PHE 91 -2.523 3.808 -3.236 706 HE2 PHE 91 2HE PHE 91 -5.886 3.339 -0.691 707 HZ PHE 91 HZ PHE 91 -4.492 4.753 -2.126 708 H ARG 92 H ARG 92 -0.860 -1.958 -3.243 709 HA ARG 92 HA ARG 92 -0.769 -4.224 -1.604 710 HB2 ARG 92 1HB ARG 92 -0.380 -5.865 -3.577 711 HB3 ARG 92 2HB ARG 92 -2.040 -5.420 -3.237 712 HG2 ARG 92 1HG ARG 92 -2.208 -4.029 -5.129 713 HG3 ARG 92 2HG ARG 92 -0.483 -3.731 -5.199 714 HD2 ARG 92 1HD ARG 92 -0.656 -6.510 -5.559 715 HD3 ARG 92 2HD ARG 92 -2.058 -5.912 -6.425 716 HE ARG 92 HE ARG 92 -0.036 -4.206 -7.250 717 HH11 ARG 92 2HH2 ARG 92 -0.408 -7.705 -7.198 718 HH12 ARG 92 1HH2 ARG 92 0.604 -7.961 -8.580 719 HH21 ARG 92 2HH1 ARG 92 1.299 -4.544 -9.074 720 HH22 ARG 92 1HH1 ARG 92 1.582 -6.151 -9.654 721 H LEU 93 H LEU 93 1.300 -3.755 -0.881 722 HA LEU 93 HA LEU 93 3.297 -3.121 -2.937 723 HB2 LEU 93 1HB LEU 93 4.525 -1.964 -1.229 724 HB3 LEU 93 2HB LEU 93 2.895 -1.330 -1.347 725 HG LEU 93 HG LEU 93 3.619 -3.384 0.740 726 HD11 LEU 93 1HD1 LEU 93 3.558 -0.736 1.848 727 HD12 LEU 93 2HD1 LEU 93 4.848 -1.961 1.913 728 HD13 LEU 93 3HD1 LEU 93 4.778 -0.813 0.554 729 HD21 LEU 93 1HD2 LEU 93 1.481 -3.199 1.289 730 HD22 LEU 93 2HD2 LEU 93 1.714 -1.465 1.615 731 HD23 LEU 93 3HD2 LEU 93 1.232 -2.008 -0.010 732 H CYS 94 H CYS 94 5.475 -4.050 -2.633 733 HA CYS 94 HA CYS 94 5.310 -6.593 -1.185 734 HB2 CYS 94 1HB CYS 94 6.756 -7.586 -2.906 735 HB3 CYS 94 2HB CYS 94 5.241 -7.020 -3.581 736 HG CYS 94 HG CYS 94 6.106 -4.750 -4.488 737 H ALA 95 H ALA 95 7.789 -7.418 -0.902 738 HA ALA 95 HA ALA 95 9.205 -5.119 0.240 739 HB1 ALA 95 1HB ALA 95 10.282 -6.795 1.686 740 HB2 ALA 95 2HB ALA 95 8.509 -6.915 1.797 741 HB3 ALA 95 3HB ALA 95 9.423 -8.099 0.831 742 H VAL 96 H VAL 96 10.928 -4.364 -0.875 743 HA VAL 96 HA VAL 96 12.284 -6.276 -2.650 744 HB VAL 96 HB VAL 96 12.027 -3.276 -2.929 745 HG11 VAL 96 1HG1 VAL 96 13.669 -3.423 -4.428 746 HG12 VAL 96 2HG1 VAL 96 13.814 -5.171 -4.120 747 HG13 VAL 96 3HG1 VAL 96 12.698 -4.577 -5.374 748 HG21 VAL 96 1HG2 VAL 96 10.059 -5.193 -3.408 749 HG22 VAL 96 2HG2 VAL 96 10.112 -3.536 -4.056 750 HG23 VAL 96 3HG2 VAL 96 10.771 -4.886 -5.010 751 H ASN 97 H ASN 97 14.352 -6.769 -2.125 752 HA ASN 97 HA ASN 97 15.738 -4.823 -0.457 753 HB2 ASN 97 1HB ASN 97 16.925 -7.081 0.405 754 HB3 ASN 97 2HB ASN 97 15.446 -6.502 1.145 755 HD21 ASN 97 1HD2 ASN 97 15.854 -9.021 1.528 756 HD22 ASN 97 2HD2 ASN 97 14.891 -10.057 0.528 757 H ASP 98 H ASP 98 18.275 -5.945 -0.389 758 HA ASP 98 HA ASP 98 19.368 -5.324 -2.758 759 HB2 ASP 98 1HB ASP 98 20.662 -5.679 -0.687 760 HB3 ASP 98 2HB ASP 98 20.305 -7.394 -0.718 761 H VAL 99 H VAL 99 18.561 -8.650 -1.500 762 HA VAL 99 HA VAL 99 19.397 -10.183 -3.566 763 HB VAL 99 HB VAL 99 17.983 -11.832 -2.751 764 HG11 VAL 99 1HG1 VAL 99 18.516 -11.843 -0.540 765 HG12 VAL 99 2HG1 VAL 99 19.448 -10.398 -1.000 766 HG13 VAL 99 3HG1 VAL 99 17.842 -10.221 -0.253 767 HG21 VAL 99 1HG2 VAL 99 15.851 -10.684 -3.213 768 HG22 VAL 99 2HG2 VAL 99 15.856 -11.447 -1.605 769 HG23 VAL 99 3HG2 VAL 99 16.075 -9.687 -1.756 770 H GLY 100 H GLY 100 16.208 -8.473 -3.298 771 HA2 GLY 100 1HA GLY 100 15.961 -7.547 -5.811 772 HA3 GLY 100 2HA GLY 100 15.500 -9.227 -6.002 773 H LYS 101 H LYS 101 13.285 -9.207 -6.215 774 HA LYS 101 HA LYS 101 11.815 -7.944 -4.014 775 HB2 LYS 101 1HB LYS 101 11.587 -6.462 -5.893 776 HB3 LYS 101 2HB LYS 101 11.209 -7.786 -6.977 777 HG2 LYS 101 1HG LYS 101 9.298 -8.140 -4.999 778 HG3 LYS 101 2HG LYS 101 9.464 -6.396 -5.007 779 HD2 LYS 101 1HD LYS 101 8.755 -8.190 -7.368 780 HD3 LYS 101 2HD LYS 101 7.734 -6.983 -6.611 781 HE2 LYS 101 1HE LYS 101 10.098 -5.588 -7.350 782 HE3 LYS 101 2HE LYS 101 9.749 -6.640 -8.707 783 HZ1 LYS 101 1HZ LYS 101 7.639 -5.712 -8.931 784 HZ2 LYS 101 2HZ LYS 101 7.675 -4.982 -7.471 785 HZ3 LYS 101 3HZ LYS 101 8.619 -4.429 -8.683 786 H GLY 102 H GLY 102 10.164 -9.172 -3.131 787 HA2 GLY 102 1HA GLY 102 10.075 -11.954 -4.041 788 HA3 GLY 102 2HA GLY 102 9.527 -11.319 -2.502 789 H GLN 103 H GLN 103 7.344 -11.221 -2.232 790 HA GLN 103 HA GLN 103 5.774 -10.886 -4.670 791 HB2 GLN 103 1HB GLN 103 4.003 -12.251 -3.569 792 HB3 GLN 103 2HB GLN 103 5.490 -13.151 -3.791 793 HG2 GLN 103 1HG GLN 103 5.747 -13.453 -1.551 794 HG3 GLN 103 2HG GLN 103 5.530 -11.745 -1.225 795 HE21 GLN 103 1HE2 GLN 103 4.559 -13.951 0.303 796 HE22 GLN 103 2HE2 GLN 103 2.829 -13.870 0.353 797 H PHE 104 H PHE 104 3.468 -9.981 -4.144 798 HA PHE 104 HA PHE 104 3.886 -7.723 -2.348 799 HB2 PHE 104 1HB PHE 104 1.833 -8.436 -4.527 800 HB3 PHE 104 2HB PHE 104 1.794 -6.929 -3.635 801 HD1 PHE 104 1HD PHE 104 4.299 -8.927 -5.566 802 HD2 PHE 104 2HD PHE 104 2.679 -5.101 -4.707 803 HE1 PHE 104 1HE PHE 104 5.852 -7.893 -7.245 804 HE2 PHE 104 2HE PHE 104 4.232 -4.066 -6.385 805 HZ PHE 104 HZ PHE 104 5.800 -5.474 -7.635 806 H SER 105 H SER 105 1.411 -6.939 -1.604 807 HA SER 105 HA SER 105 0.596 -9.168 0.056 808 HB2 SER 105 1HB SER 105 -0.699 -7.247 1.259 809 HB3 SER 105 2HB SER 105 1.043 -7.317 1.432 810 HG SER 105 HG SER 105 -0.556 -5.497 -0.086 811 H LYS 106 H LYS 106 -1.697 -9.708 0.303 812 HA LYS 106 HA LYS 106 -3.092 -9.896 -2.041 813 HB2 LYS 106 1HB LYS 106 -3.823 -10.117 0.860 814 HB3 LYS 106 2HB LYS 106 -5.100 -10.150 -0.340 815 HG2 LYS 106 1HG LYS 106 -2.641 -11.962 -0.398 816 HG3 LYS 106 2HG LYS 106 -4.200 -12.438 0.244 817 HD2 LYS 106 1HD LYS 106 -4.468 -11.284 -2.445 818 HD3 LYS 106 2HD LYS 106 -3.350 -12.633 -2.445 819 HE2 LYS 106 1HE LYS 106 -5.907 -13.013 -0.912 820 HE3 LYS 106 2HE LYS 106 -6.044 -12.949 -2.658 821 HZ1 LYS 106 1HZ LYS 106 -5.580 -15.122 -2.350 822 HZ2 LYS 106 2HZ LYS 106 -4.044 -14.585 -2.486 823 HZ3 LYS 106 3HZ LYS 106 -4.672 -14.895 -1.011 824 H ASP 107 H ASP 107 -5.153 -8.872 -2.729 825 HA ASP 107 HA ASP 107 -4.828 -6.139 -2.912 826 HB2 ASP 107 1HB ASP 107 -7.297 -6.251 -3.719 827 HB3 ASP 107 2HB ASP 107 -6.102 -7.158 -4.625 828 H THR 108 H THR 108 -4.962 -4.825 -1.065 829 HA THR 108 HA THR 108 -6.269 -5.391 1.271 830 HB THR 108 HB THR 108 -6.166 -2.828 1.532 831 HG1 THR 108 1HG THR 108 -6.164 -1.905 -0.483 832 HG21 THR 108 1HG2 THR 108 -4.061 -3.502 2.203 833 HG22 THR 108 2HG2 THR 108 -3.898 -4.640 0.844 834 HG23 THR 108 3HG2 THR 108 -3.558 -2.909 0.602 835 H GLU 109 H GLU 109 -8.264 -4.921 2.221 836 HA GLU 109 HA GLU 109 -10.458 -5.479 0.897 837 HB2 GLU 109 1HB GLU 109 -9.843 -4.292 3.410 838 HB3 GLU 109 2HB GLU 109 -11.120 -3.309 2.723 839 HG2 GLU 109 1HG GLU 109 -12.340 -5.545 2.199 840 HG3 GLU 109 2HG GLU 109 -11.163 -6.309 3.249 841 H ARG 110 H ARG 110 -11.585 -4.682 -0.825 842 HA ARG 110 HA ARG 110 -10.872 -2.684 -2.356 843 HB2 ARG 110 1HB ARG 110 -12.971 -4.351 -2.404 844 HB3 ARG 110 2HB ARG 110 -13.845 -2.943 -1.835 845 HG2 ARG 110 1HG ARG 110 -12.703 -1.670 -3.816 846 HG3 ARG 110 2HG ARG 110 -12.303 -3.259 -4.437 847 HD2 ARG 110 1HD ARG 110 -15.034 -3.469 -3.749 848 HD3 ARG 110 2HD ARG 110 -14.894 -1.864 -4.436 849 HE ARG 110 HE ARG 110 -13.475 -3.796 -6.063 850 HH11 ARG 110 2HH2 ARG 110 -16.704 -2.615 -5.312 851 HH12 ARG 110 1HH2 ARG 110 -17.368 -3.079 -6.843 852 HH21 ARG 110 2HH1 ARG 110 -14.351 -4.408 -8.083 853 HH22 ARG 110 1HH1 ARG 110 -16.021 -4.105 -8.429 854 H VAL 111 H VAL 111 -10.217 -0.651 -1.643 855 HA VAL 111 HA VAL 111 -11.850 0.704 0.340 856 HB VAL 111 HB VAL 111 -9.267 1.577 -0.962 857 HG11 VAL 111 1HG1 VAL 111 -10.077 3.466 0.090 858 HG12 VAL 111 2HG1 VAL 111 -10.912 2.538 1.359 859 HG13 VAL 111 3HG1 VAL 111 -9.142 2.722 1.409 860 HG21 VAL 111 1HG2 VAL 111 -8.685 -0.479 0.011 861 HG22 VAL 111 2HG2 VAL 111 -8.271 0.722 1.257 862 HG23 VAL 111 3HG2 VAL 111 -9.765 -0.234 1.404 863 H SER 112 H SER 112 -13.183 2.428 -0.088 864 HA SER 112 HA SER 112 -13.148 3.347 -2.856 865 HB2 SER 112 1HB SER 112 -15.158 2.107 -2.692 866 HB3 SER 112 2HB SER 112 -15.464 2.626 -1.047 867 HG SER 112 HG SER 112 -15.367 4.666 -3.025 868 H LEU 113 H LEU 113 -13.324 5.610 -3.181 869 HA LEU 113 HA LEU 113 -12.853 7.177 -0.790 870 HB2 LEU 113 1HB LEU 113 -11.932 7.222 -3.441 871 HB3 LEU 113 2HB LEU 113 -12.919 8.660 -3.268 872 HG LEU 113 HG LEU 113 -11.302 8.551 -0.950 873 HD11 LEU 113 1HD1 LEU 113 -9.673 7.126 -1.726 874 HD12 LEU 113 2HD1 LEU 113 -9.865 7.642 -3.418 875 HD13 LEU 113 3HD1 LEU 113 -9.032 8.700 -2.254 876 HD21 LEU 113 1HD2 LEU 113 -12.142 10.407 -2.794 877 HD22 LEU 113 2HD2 LEU 113 -11.013 10.710 -1.452 878 HD23 LEU 113 3HD2 LEU 113 -10.386 10.349 -3.078 879 HA PRO 114 HA PRO 114 -16.823 8.861 -0.652 880 HB2 PRO 114 1HB PRO 114 -16.383 11.350 0.388 881 HB3 PRO 114 2HB PRO 114 -16.412 9.894 1.364 882 HG2 PRO 114 1HG PRO 114 -14.086 11.500 0.498 883 HG3 PRO 114 2HG PRO 114 -14.186 10.322 1.791 884 HD2 PRO 114 1HD PRO 114 -12.997 9.938 -0.791 885 HD3 PRO 114 2HD PRO 114 -13.202 8.727 0.460 886 H GLU 115 H GLU 115 -18.442 10.090 -1.663 887 HA GLU 115 HA GLU 115 -17.618 10.895 -4.219 888 HB2 GLU 115 1HB GLU 115 -19.953 10.018 -3.251 889 HB3 GLU 115 2HB GLU 115 -20.277 11.730 -3.068 890 HG2 GLU 115 1HG GLU 115 -19.723 12.088 -5.488 891 HG3 GLU 115 2HG GLU 115 -19.419 10.371 -5.667 892 H SER 116 H SER 116 -17.855 13.073 -5.189 893 HA SER 116 HA SER 116 -18.030 15.242 -3.321 894 HB2 SER 116 1HB SER 116 -15.501 14.244 -3.861 895 HB3 SER 116 2HB SER 116 -15.645 15.504 -5.071 896 HG SER 116 HG SER 116 -15.482 15.708 -2.257 897 H GLY 117 H GLY 117 -19.900 15.882 -4.516 898 HA2 GLY 117 1HA GLY 117 -20.969 17.073 -6.100 899 HA3 GLY 117 2HA GLY 117 -19.417 17.485 -6.801 900 HA PRO 118 HA PRO 118 -21.630 14.081 -9.181 901 HB2 PRO 118 1HB PRO 118 -23.562 15.341 -10.647 902 HB3 PRO 118 2HB PRO 118 -23.899 14.469 -9.165 903 HG2 PRO 118 1HG PRO 118 -23.785 17.389 -9.612 904 HG3 PRO 118 2HG PRO 118 -24.521 16.510 -8.287 905 HD2 PRO 118 1HD PRO 118 -22.025 17.922 -8.233 906 HD3 PRO 118 2HD PRO 118 -22.705 16.947 -6.946 907 H SER 119 H SER 119 -19.252 14.864 -9.664 908 HA SER 119 HA SER 119 -17.790 15.201 -11.231 909 HB2 SER 119 1HB SER 119 -20.143 14.249 -12.748 910 HB3 SER 119 2HB SER 119 -19.040 15.197 -13.725 911 HG SER 119 HG SER 119 -18.532 12.752 -12.297 912 H SER 120 H SER 120 -17.133 16.775 -13.113 913 HA SER 120 HA SER 120 -18.331 19.316 -12.444 914 HB2 SER 120 1HB SER 120 -15.753 18.514 -13.844 915 HB3 SER 120 2HB SER 120 -16.305 20.177 -13.814 916 HG SER 120 HG SER 120 -16.320 18.906 -11.301 917 H GLY 121 H GLY 121 -19.908 20.141 -13.764 918 HA2 GLY 121 1HA GLY 121 -19.925 20.820 -16.283 919 HA3 GLY 121 2HA GLY 121 -20.127 19.093 -16.494 Start of MODEL 15 1 H1 GLY 1 H GLY 1 14.313 -37.197 -15.692 2 HA2 GLY 1 1HA GLY 1 16.870 -36.157 -15.141 3 HA3 GLY 1 2HA GLY 1 15.822 -34.843 -15.637 4 H SER 2 H SER 2 14.363 -33.978 -14.179 5 HA SER 2 HA SER 2 13.288 -33.641 -12.325 6 HB2 SER 2 1HB SER 2 13.203 -36.632 -12.487 7 HB3 SER 2 2HB SER 2 12.794 -35.929 -10.934 8 HG SER 2 HG SER 2 10.996 -36.254 -12.567 9 H SER 3 H SER 3 13.460 -33.876 -9.794 10 HA SER 3 HA SER 3 14.645 -33.749 -7.980 11 HB2 SER 3 1HB SER 3 15.823 -36.039 -9.357 12 HB3 SER 3 2HB SER 3 17.039 -35.214 -8.402 13 HG SER 3 HG SER 3 16.163 -36.501 -6.877 14 H GLY 4 H GLY 4 16.590 -32.665 -7.028 15 HA2 GLY 4 1HA GLY 4 18.461 -31.495 -8.938 16 HA3 GLY 4 2HA GLY 4 17.388 -30.388 -8.105 17 H SER 5 H SER 5 18.518 -29.380 -6.497 18 HA SER 5 HA SER 5 19.360 -30.796 -4.289 19 HB2 SER 5 1HB SER 5 21.222 -31.303 -6.108 20 HB3 SER 5 2HB SER 5 21.784 -29.689 -5.722 21 HG SER 5 HG SER 5 22.765 -31.463 -4.437 22 H SER 6 H SER 6 18.452 -29.198 -3.002 23 HA SER 6 HA SER 6 19.786 -26.640 -3.101 24 HB2 SER 6 1HB SER 6 17.906 -26.060 -4.422 25 HB3 SER 6 2HB SER 6 16.818 -27.080 -3.501 26 HG SER 6 HG SER 6 16.446 -24.896 -2.930 27 H GLY 7 H GLY 7 20.541 -26.349 -1.038 28 HA2 GLY 7 1HA GLY 7 20.156 -25.911 1.224 29 HA3 GLY 7 2HA GLY 7 18.729 -26.927 1.196 30 H ARG 8 H ARG 8 21.763 -26.772 2.456 31 HA ARG 8 HA ARG 8 22.506 -29.485 1.935 32 HB2 ARG 8 1HB ARG 8 23.847 -27.100 2.774 33 HB3 ARG 8 2HB ARG 8 24.003 -28.227 4.106 34 HG2 ARG 8 1HG ARG 8 24.616 -29.018 1.226 35 HG3 ARG 8 2HG ARG 8 25.831 -28.331 2.285 36 HD2 ARG 8 1HD ARG 8 25.439 -30.187 3.929 37 HD3 ARG 8 2HD ARG 8 24.236 -30.877 2.858 38 HE ARG 8 HE ARG 8 25.949 -31.688 1.472 39 HH11 ARG 8 2HH2 ARG 8 27.271 -29.316 3.709 40 HH12 ARG 8 1HH2 ARG 8 28.919 -29.648 3.288 41 HH21 ARG 8 2HH1 ARG 8 28.122 -32.127 0.916 42 HH22 ARG 8 1HH1 ARG 8 29.406 -31.258 1.689 43 H SER 9 H SER 9 21.660 -27.433 4.824 44 HA SER 9 HA SER 9 20.172 -29.570 5.927 45 HB2 SER 9 1HB SER 9 22.798 -29.847 6.496 46 HB3 SER 9 2HB SER 9 22.390 -28.706 7.762 47 HG SER 9 HG SER 9 20.553 -30.246 8.274 48 H ALA 10 H ALA 10 22.057 -26.584 6.825 49 HA ALA 10 HA ALA 10 19.579 -25.235 7.433 50 HB1 ALA 10 1HB ALA 10 20.748 -26.630 9.492 51 HB2 ALA 10 2HB ALA 10 21.523 -25.036 9.657 52 HB3 ALA 10 3HB ALA 10 19.749 -25.171 9.696 53 H HIS 11 H HIS 11 23.180 -25.087 7.946 54 HA HIS 11 HA HIS 11 24.674 -23.597 7.346 55 HB2 HIS 11 1HB HIS 11 22.986 -23.779 5.140 56 HB3 HIS 11 2HB HIS 11 23.127 -22.053 5.404 57 HD1 HIS 11 1HD HIS 11 24.368 -23.087 2.873 58 HD2 HIS 11 2HD HIS 11 26.469 -22.953 6.501 59 HE1 HIS 11 1HE HIS 11 26.846 -23.081 2.264 60 H LEU 12 H LEU 12 24.685 -20.886 6.763 61 HA LEU 12 HA LEU 12 23.347 -19.830 9.144 62 HB2 LEU 12 1HB LEU 12 25.604 -18.524 7.649 63 HB3 LEU 12 2HB LEU 12 25.052 -18.222 9.285 64 HG LEU 12 HG LEU 12 25.807 -20.939 9.240 65 HD11 LEU 12 1HD1 LEU 12 28.186 -19.438 8.241 66 HD12 LEU 12 2HD1 LEU 12 27.803 -21.174 8.160 67 HD13 LEU 12 3HD1 LEU 12 27.001 -20.033 7.054 68 HD21 LEU 12 1HD2 LEU 12 27.076 -20.360 11.041 69 HD22 LEU 12 2HD2 LEU 12 27.689 -18.872 10.280 70 HD23 LEU 12 3HD2 LEU 12 26.039 -18.916 10.946 71 H ARG 13 H ARG 13 23.208 -17.163 8.669 72 HA ARG 13 HA ARG 13 20.944 -16.803 7.370 73 HB2 ARG 13 1HB ARG 13 23.336 -14.901 7.471 74 HB3 ARG 13 2HB ARG 13 21.741 -14.393 6.952 75 HG2 ARG 13 1HG ARG 13 21.075 -14.154 9.105 76 HG3 ARG 13 2HG ARG 13 21.443 -15.835 9.437 77 HD2 ARG 13 1HD ARG 13 23.950 -15.013 9.580 78 HD3 ARG 13 2HD ARG 13 23.251 -13.415 9.754 79 HE ARG 13 HE ARG 13 21.955 -15.268 11.554 80 HH11 ARG 13 2HH2 ARG 13 24.934 -13.443 11.127 81 HH12 ARG 13 1HH2 ARG 13 25.280 -13.367 12.823 82 HH21 ARG 13 2HH1 ARG 13 22.412 -15.167 13.791 83 HH22 ARG 13 1HH1 ARG 13 23.836 -14.353 14.348 84 H VAL 14 H VAL 14 20.202 -16.930 5.265 85 HA VAL 14 HA VAL 14 22.246 -16.845 3.153 86 HB VAL 14 HB VAL 14 21.330 -19.082 3.525 87 HG11 VAL 14 1HG1 VAL 14 18.708 -17.641 3.240 88 HG12 VAL 14 2HG1 VAL 14 18.841 -19.339 2.722 89 HG13 VAL 14 3HG1 VAL 14 19.200 -18.892 4.407 90 HG21 VAL 14 1HG2 VAL 14 21.736 -17.870 1.149 91 HG22 VAL 14 2HG2 VAL 14 21.252 -19.576 1.308 92 HG23 VAL 14 3HG2 VAL 14 20.028 -18.332 0.958 93 H ARG 15 H ARG 15 21.914 -15.437 1.460 94 HA ARG 15 HA ARG 15 19.962 -13.463 1.878 95 HB2 ARG 15 1HB ARG 15 22.116 -14.020 -0.154 96 HB3 ARG 15 2HB ARG 15 20.851 -12.905 -0.632 97 HG2 ARG 15 1HG ARG 15 21.298 -11.468 1.309 98 HG3 ARG 15 2HG ARG 15 22.428 -12.633 1.968 99 HD2 ARG 15 1HD ARG 15 23.364 -12.155 -0.664 100 HD3 ARG 15 2HD ARG 15 22.873 -10.577 -0.081 101 HE ARG 15 HE ARG 15 25.124 -12.155 0.880 102 HH11 ARG 15 2HH2 ARG 15 22.772 -9.710 1.813 103 HH12 ARG 15 1HH2 ARG 15 23.766 -9.050 3.068 104 HH21 ARG 15 2HH1 ARG 15 26.436 -11.285 2.537 105 HH22 ARG 15 1HH1 ARG 15 25.864 -9.952 3.483 106 H GLN 16 H GLN 16 17.860 -14.409 1.717 107 HA GLN 16 HA GLN 16 17.258 -15.494 -0.925 108 HB2 GLN 16 1HB GLN 16 15.669 -16.957 0.042 109 HB3 GLN 16 2HB GLN 16 17.021 -17.013 1.156 110 HG2 GLN 16 1HG GLN 16 15.857 -15.195 2.528 111 HG3 GLN 16 2HG GLN 16 14.466 -15.374 1.478 112 HE21 GLN 16 1HE2 GLN 16 16.780 -17.634 2.978 113 HE22 GLN 16 2HE2 GLN 16 15.616 -18.660 3.748 114 H LEU 17 H LEU 17 14.750 -15.197 -1.435 115 HA LEU 17 HA LEU 17 14.316 -12.411 -1.514 116 HB2 LEU 17 1HB LEU 17 12.692 -14.820 -2.298 117 HB3 LEU 17 2HB LEU 17 12.059 -13.193 -2.443 118 HG LEU 17 HG LEU 17 14.533 -14.271 -3.823 119 HD11 LEU 17 1HD1 LEU 17 12.657 -15.233 -4.877 120 HD12 LEU 17 2HD1 LEU 17 11.723 -13.721 -4.785 121 HD13 LEU 17 3HD1 LEU 17 13.114 -13.842 -5.889 122 HD21 LEU 17 1HD2 LEU 17 13.678 -11.842 -4.993 123 HD22 LEU 17 2HD2 LEU 17 13.767 -11.570 -3.236 124 HD23 LEU 17 3HD2 LEU 17 15.191 -12.175 -4.117 125 HA PRO 18 HA PRO 18 12.142 -11.871 2.178 126 HB2 PRO 18 1HB PRO 18 10.856 -9.515 1.663 127 HB3 PRO 18 2HB PRO 18 12.536 -9.602 2.156 128 HG2 PRO 18 1HG PRO 18 11.417 -9.052 -0.525 129 HG3 PRO 18 2HG PRO 18 13.031 -8.732 0.078 130 HD2 PRO 18 1HD PRO 18 12.243 -10.867 -1.668 131 HD3 PRO 18 2HD PRO 18 13.832 -10.613 -0.973 132 H HIS 19 H HIS 19 9.710 -10.789 2.789 133 HA HIS 19 HA HIS 19 7.945 -12.556 1.257 134 HB2 HIS 19 1HB HIS 19 8.362 -12.304 4.197 135 HB3 HIS 19 2HB HIS 19 6.711 -12.510 3.645 136 HD1 HIS 19 1HD HIS 19 6.242 -14.916 4.221 137 HD2 HIS 19 2HD HIS 19 9.875 -14.433 2.179 138 HE1 HIS 19 1HE HIS 19 7.106 -17.267 3.732 139 H ALA 20 H ALA 20 5.698 -11.823 1.085 140 HA ALA 20 HA ALA 20 5.545 -9.069 0.567 141 HB1 ALA 20 1HB ALA 20 3.693 -11.428 0.579 142 HB2 ALA 20 2HB ALA 20 2.973 -9.801 0.545 143 HB3 ALA 20 3HB ALA 20 4.098 -10.304 -0.740 144 HA PRO 21 HA PRO 21 4.207 -7.471 4.356 145 HB2 PRO 21 1HB PRO 21 2.476 -5.482 3.639 146 HB3 PRO 21 2HB PRO 21 4.218 -5.307 3.568 147 HG2 PRO 21 1HG PRO 21 2.303 -5.704 1.351 148 HG3 PRO 21 2HG PRO 21 3.951 -5.112 1.285 149 HD2 PRO 21 1HD PRO 21 3.039 -7.735 0.564 150 HD3 PRO 21 2HD PRO 21 4.700 -7.178 0.609 151 H GLU 22 H GLU 22 3.022 -8.176 6.019 152 HA GLU 22 HA GLU 22 0.550 -9.428 5.216 153 HB2 GLU 22 1HB GLU 22 2.362 -9.598 7.621 154 HB3 GLU 22 2HB GLU 22 0.686 -10.076 7.806 155 HG2 GLU 22 1HG GLU 22 1.690 -11.228 5.346 156 HG3 GLU 22 2HG GLU 22 2.839 -11.575 6.623 157 H HIS 23 H HIS 23 -1.327 -9.210 6.947 158 HA HIS 23 HA HIS 23 -2.939 -7.842 7.591 159 HB2 HIS 23 1HB HIS 23 -0.569 -7.288 9.257 160 HB3 HIS 23 2HB HIS 23 -1.802 -6.045 9.326 161 HD1 HIS 23 1HD HIS 23 -4.020 -6.603 10.523 162 HD2 HIS 23 2HD HIS 23 -1.377 -9.850 10.262 163 HE1 HIS 23 1HE HIS 23 -4.958 -8.413 12.058 164 HA PRO 24 HA PRO 24 -1.605 -4.426 4.803 165 HB2 PRO 24 1HB PRO 24 -2.736 -5.236 2.451 166 HB3 PRO 24 2HB PRO 24 -1.049 -5.500 2.844 167 HG2 PRO 24 1HG PRO 24 -3.275 -7.445 2.835 168 HG3 PRO 24 2HG PRO 24 -1.550 -7.751 2.804 169 HD2 PRO 24 1HD PRO 24 -3.299 -8.014 5.062 170 HD3 PRO 24 2HD PRO 24 -1.557 -8.207 5.057 171 H VAL 25 H VAL 25 -2.851 -3.039 6.029 172 HA VAL 25 HA VAL 25 -5.708 -3.204 5.444 173 HB VAL 25 HB VAL 25 -6.058 -2.411 7.501 174 HG11 VAL 25 1HG1 VAL 25 -3.161 -2.801 8.189 175 HG12 VAL 25 2HG1 VAL 25 -4.621 -3.313 9.069 176 HG13 VAL 25 3HG1 VAL 25 -4.115 -4.184 7.602 177 HG21 VAL 25 1HG2 VAL 25 -3.855 -0.486 6.848 178 HG22 VAL 25 2HG2 VAL 25 -5.534 -0.175 7.348 179 HG23 VAL 25 3HG2 VAL 25 -4.331 -0.701 8.549 180 H ALA 26 H ALA 26 -6.857 -1.481 4.507 181 HA ALA 26 HA ALA 26 -5.251 0.810 3.655 182 HB1 ALA 26 1HB ALA 26 -7.077 -0.787 1.817 183 HB2 ALA 26 2HB ALA 26 -6.075 0.618 1.380 184 HB3 ALA 26 3HB ALA 26 -5.302 -0.920 1.833 185 H THR 27 H THR 27 -6.247 2.409 4.812 186 HA THR 27 HA THR 27 -9.172 2.568 4.527 187 HB THR 27 HB THR 27 -8.782 3.713 6.950 188 HG1 THR 27 1HG THR 27 -6.893 2.868 7.857 189 HG21 THR 27 1HG2 THR 27 -8.608 0.675 6.778 190 HG22 THR 27 2HG2 THR 27 -9.451 1.664 7.995 191 HG23 THR 27 3HG2 THR 27 -10.107 1.531 6.345 192 H LEU 28 H LEU 28 -10.067 4.737 4.594 193 HA LEU 28 HA LEU 28 -8.351 6.530 3.163 194 HB2 LEU 28 1HB LEU 28 -11.191 6.151 3.635 195 HB3 LEU 28 2HB LEU 28 -10.734 7.837 3.784 196 HG LEU 28 HG LEU 28 -10.132 6.086 1.384 197 HD11 LEU 28 1HD1 LEU 28 -12.207 8.278 1.610 198 HD12 LEU 28 2HD1 LEU 28 -11.914 7.188 0.234 199 HD13 LEU 28 3HD1 LEU 28 -12.564 6.540 1.759 200 HD21 LEU 28 1HD2 LEU 28 -8.506 7.918 1.767 201 HD22 LEU 28 2HD2 LEU 28 -9.442 8.108 0.265 202 HD23 LEU 28 3HD2 LEU 28 -9.848 9.086 1.696 203 H SER 29 H SER 29 -8.360 8.949 3.848 204 HA SER 29 HA SER 29 -7.539 8.944 6.626 205 HB2 SER 29 1HB SER 29 -6.164 9.828 4.515 206 HB3 SER 29 2HB SER 29 -7.112 11.281 4.762 207 HG SER 29 HG SER 29 -6.199 10.501 7.192 208 H THR 30 H THR 30 -8.996 9.689 8.120 209 HA THR 30 HA THR 30 -11.254 11.257 7.218 210 HB THR 30 HB THR 30 -12.037 10.826 9.534 211 HG1 THR 30 1HG THR 30 -9.924 11.077 10.541 212 HG21 THR 30 1HG2 THR 30 -11.397 8.234 9.642 213 HG22 THR 30 2HG2 THR 30 -12.487 8.824 8.365 214 HG23 THR 30 3HG2 THR 30 -10.768 8.537 8.005 215 H VAL 31 H VAL 31 -8.198 12.158 7.527 216 HA VAL 31 HA VAL 31 -8.942 14.669 8.862 217 HB VAL 31 HB VAL 31 -6.635 14.843 9.622 218 HG11 VAL 31 1HG1 VAL 31 -8.334 13.785 11.075 219 HG12 VAL 31 2HG1 VAL 31 -7.880 12.191 10.426 220 HG13 VAL 31 3HG1 VAL 31 -6.702 13.138 11.366 221 HG21 VAL 31 1HG2 VAL 31 -6.272 12.077 8.420 222 HG22 VAL 31 2HG2 VAL 31 -5.514 13.586 7.857 223 HG23 VAL 31 3HG2 VAL 31 -5.093 12.920 9.453 224 H GLU 32 H GLU 32 -6.931 13.013 6.360 225 HA GLU 32 HA GLU 32 -6.651 15.597 5.062 226 HB2 GLU 32 1HB GLU 32 -4.876 13.394 5.450 227 HB3 GLU 32 2HB GLU 32 -5.212 13.454 3.731 228 HG2 GLU 32 1HG GLU 32 -4.241 15.796 5.438 229 HG3 GLU 32 2HG GLU 32 -3.261 14.877 4.313 230 H ARG 33 H ARG 33 -7.539 16.014 3.027 231 HA ARG 33 HA ARG 33 -9.596 14.235 2.250 232 HB2 ARG 33 1HB ARG 33 -8.598 16.945 1.382 233 HB3 ARG 33 2HB ARG 33 -9.575 16.052 0.233 234 HG2 ARG 33 1HG ARG 33 -10.422 16.566 3.122 235 HG3 ARG 33 2HG ARG 33 -10.884 17.597 1.782 236 HD2 ARG 33 1HD ARG 33 -11.950 15.611 0.651 237 HD3 ARG 33 2HD ARG 33 -11.531 14.619 2.032 238 HE ARG 33 HE ARG 33 -13.348 15.528 3.177 239 HH11 ARG 33 2HH2 ARG 33 -12.432 17.733 0.592 240 HH12 ARG 33 1HH2 ARG 33 -13.759 18.812 0.870 241 HH21 ARG 33 2HH1 ARG 33 -15.098 16.951 3.543 242 HH22 ARG 33 1HH1 ARG 33 -15.285 18.364 2.560 243 H ARG 34 H ARG 34 -9.787 13.157 0.146 244 HA ARG 34 HA ARG 34 -8.983 11.760 -1.317 245 HB2 ARG 34 1HB ARG 34 -7.088 13.963 -2.229 246 HB3 ARG 34 2HB ARG 34 -7.927 12.788 -3.221 247 HG2 ARG 34 1HG ARG 34 -10.123 13.901 -2.281 248 HG3 ARG 34 2HG ARG 34 -9.073 15.225 -1.819 249 HD2 ARG 34 1HD ARG 34 -9.327 14.102 -4.653 250 HD3 ARG 34 2HD ARG 34 -10.097 15.570 -4.082 251 HE ARG 34 HE ARG 34 -7.280 15.722 -3.541 252 HH11 ARG 34 2HH2 ARG 34 -9.546 15.830 -6.231 253 HH12 ARG 34 1HH2 ARG 34 -8.519 16.812 -7.223 254 HH21 ARG 34 2HH1 ARG 34 -5.925 17.017 -4.849 255 HH22 ARG 34 1HH1 ARG 34 -6.446 17.492 -6.431 256 H ALA 35 H ALA 35 -7.736 11.193 1.058 257 HA ALA 35 HA ALA 35 -5.090 10.386 0.155 258 HB1 ALA 35 1HB ALA 35 -5.487 11.676 2.874 259 HB2 ALA 35 2HB ALA 35 -3.960 11.272 2.053 260 HB3 ALA 35 3HB ALA 35 -4.971 12.605 1.445 261 H ILE 36 H ILE 36 -4.634 8.301 0.769 262 HA ILE 36 HA ILE 36 -6.537 7.106 2.661 263 HB ILE 36 HB ILE 36 -5.179 5.984 0.218 264 HG12 ILE 36 1HG1 ILE 36 -8.112 6.145 0.969 265 HG13 ILE 36 2HG1 ILE 36 -7.289 7.305 -0.055 266 HG21 ILE 36 1HG2 ILE 36 -5.895 3.806 0.767 267 HG22 ILE 36 2HG2 ILE 36 -5.092 4.430 2.228 268 HG23 ILE 36 3HG2 ILE 36 -6.869 4.381 2.141 269 HD11 ILE 36 1HD1 ILE 36 -7.852 4.376 -0.599 270 HD12 ILE 36 2HD1 ILE 36 -8.231 5.792 -1.608 271 HD13 ILE 36 3HD1 ILE 36 -6.550 5.223 -1.468 272 H ASN 37 H ASN 37 -5.700 5.519 4.167 273 HA ASN 37 HA ASN 37 -2.846 5.925 4.602 274 HB2 ASN 37 1HB ASN 37 -5.179 6.097 6.383 275 HB3 ASN 37 2HB ASN 37 -4.028 4.925 6.995 276 HD21 ASN 37 1HD2 ASN 37 -4.916 7.868 7.520 277 HD22 ASN 37 2HD2 ASN 37 -3.430 8.706 7.816 278 H LEU 38 H LEU 38 -1.664 4.041 4.239 279 HA LEU 38 HA LEU 38 -3.100 1.499 4.561 280 HB2 LEU 38 1HB LEU 38 -2.393 2.190 2.240 281 HB3 LEU 38 2HB LEU 38 -0.731 2.042 2.774 282 HG LEU 38 HG LEU 38 -1.779 -0.395 3.516 283 HD11 LEU 38 1HD1 LEU 38 -2.815 -0.174 0.740 284 HD12 LEU 38 2HD1 LEU 38 -3.359 -1.185 2.101 285 HD13 LEU 38 3HD1 LEU 38 -3.811 0.535 2.033 286 HD21 LEU 38 1HD2 LEU 38 -0.477 -1.310 1.699 287 HD22 LEU 38 2HD2 LEU 38 -0.476 0.260 0.859 288 HD23 LEU 38 3HD2 LEU 38 0.384 0.078 2.407 289 H THR 39 H THR 39 -2.202 -0.095 5.854 290 HA THR 39 HA THR 39 0.474 0.378 6.915 291 HB THR 39 HB THR 39 -0.229 0.663 9.124 292 HG1 THR 39 1HG THR 39 -2.407 -0.967 8.081 293 HG21 THR 39 1HG2 THR 39 -2.336 1.966 9.285 294 HG22 THR 39 2HG2 THR 39 -1.402 2.509 7.870 295 HG23 THR 39 3HG2 THR 39 -2.805 1.435 7.653 296 H TRP 40 H TRP 40 1.643 -1.437 6.891 297 HA TRP 40 HA TRP 40 0.139 -3.963 6.955 298 HB2 TRP 40 1HB TRP 40 1.774 -4.891 5.378 299 HB3 TRP 40 2HB TRP 40 0.796 -3.612 4.685 300 HD1 TRP 40 HD TRP 40 4.412 -4.513 5.363 301 HE1 TRP 40 1HE TRP 40 6.083 -2.677 4.469 302 HE3 TRP 40 3HE TRP 40 0.864 -0.999 4.403 303 HZ2 TRP 40 2HZ TRP 40 5.741 -0.020 3.483 304 HZ3 TRP 40 3HZ TRP 40 1.617 1.189 3.476 305 HH2 TRP 40 HH TRP 40 3.962 1.704 3.016 306 H THR 41 H THR 41 1.993 -5.804 7.370 307 HA THR 41 HA THR 41 3.424 -4.841 9.747 308 HB THR 41 HB THR 41 2.471 -7.620 8.874 309 HG1 THR 41 1HG THR 41 0.883 -5.944 9.593 310 HG21 THR 41 1HG2 THR 41 3.090 -8.361 11.104 311 HG22 THR 41 2HG2 THR 41 4.533 -7.570 10.425 312 HG23 THR 41 3HG2 THR 41 3.514 -6.705 11.599 313 H LYS 42 H LYS 42 5.579 -5.688 10.202 314 HA LYS 42 HA LYS 42 7.161 -5.575 7.818 315 HB2 LYS 42 1HB LYS 42 7.575 -4.631 10.269 316 HB3 LYS 42 2HB LYS 42 8.313 -6.201 10.509 317 HG2 LYS 42 1HG LYS 42 9.090 -4.905 7.952 318 HG3 LYS 42 2HG LYS 42 9.569 -3.995 9.371 319 HD2 LYS 42 1HD LYS 42 10.677 -6.028 10.311 320 HD3 LYS 42 2HD LYS 42 10.184 -6.953 8.906 321 HE2 LYS 42 1HE LYS 42 12.467 -6.274 8.511 322 HE3 LYS 42 2HE LYS 42 11.469 -5.297 7.452 323 HZ1 LYS 42 1HZ LYS 42 12.301 -4.377 10.109 324 HZ2 LYS 42 2HZ LYS 42 13.175 -4.084 8.761 325 HZ3 LYS 42 3HZ LYS 42 11.663 -3.484 8.900 326 HA PRO 43 HA PRO 43 7.015 -9.938 7.410 327 HB2 PRO 43 1HB PRO 43 8.048 -10.055 4.883 328 HB3 PRO 43 2HB PRO 43 6.341 -9.830 5.211 329 HG2 PRO 43 1HG PRO 43 8.332 -7.842 4.304 330 HG3 PRO 43 2HG PRO 43 6.583 -7.757 4.230 331 HD2 PRO 43 1HD PRO 43 8.288 -6.406 6.099 332 HD3 PRO 43 2HD PRO 43 6.536 -6.415 6.096 333 H PHE 44 H PHE 44 8.628 -11.724 6.643 334 HA PHE 44 HA PHE 44 10.971 -11.171 8.206 335 HB2 PHE 44 1HB PHE 44 9.795 -13.354 8.314 336 HB3 PHE 44 2HB PHE 44 9.869 -13.528 6.572 337 HD1 PHE 44 1HD PHE 44 12.310 -13.564 5.564 338 HD2 PHE 44 2HD PHE 44 11.367 -14.451 9.606 339 HE1 PHE 44 1HE PHE 44 14.456 -14.847 5.784 340 HE2 PHE 44 2HE PHE 44 13.514 -15.734 9.825 341 HZ PHE 44 HZ PHE 44 15.033 -15.916 7.911 342 H ASP 45 H ASP 45 12.952 -10.562 7.456 343 HA ASP 45 HA ASP 45 13.200 -10.167 4.644 344 HB2 ASP 45 1HB ASP 45 15.149 -8.906 5.175 345 HB3 ASP 45 2HB ASP 45 14.054 -8.605 6.510 346 H GLY 46 H GLY 46 14.690 -11.308 3.262 347 HA2 GLY 46 1HA GLY 46 15.420 -13.949 4.139 348 HA3 GLY 46 2HA GLY 46 15.654 -13.239 2.554 349 H ASN 47 H ASN 47 16.784 -12.371 5.906 350 HA ASN 47 HA ASN 47 18.757 -12.003 6.723 351 HB2 ASN 47 1HB ASN 47 19.668 -13.729 4.368 352 HB3 ASN 47 2HB ASN 47 20.792 -13.133 5.573 353 HD21 ASN 47 1HD2 ASN 47 18.763 -15.609 4.701 354 HD22 ASN 47 2HD2 ASN 47 18.597 -16.441 6.211 355 H SER 48 H SER 48 17.524 -10.335 4.446 356 HA SER 48 HA SER 48 19.969 -8.897 3.807 357 HB2 SER 48 1HB SER 48 18.320 -10.268 1.926 358 HB3 SER 48 2HB SER 48 17.989 -8.561 1.702 359 HG SER 48 HG SER 48 20.719 -9.336 1.968 360 HA PRO 49 HA PRO 49 17.569 -5.574 5.289 361 HB2 PRO 49 1HB PRO 49 19.120 -3.468 4.496 362 HB3 PRO 49 2HB PRO 49 19.450 -4.412 5.935 363 HG2 PRO 49 1HG PRO 49 20.838 -4.463 3.326 364 HG3 PRO 49 2HG PRO 49 21.393 -5.061 4.877 365 HD2 PRO 49 1HD PRO 49 20.391 -6.626 2.692 366 HD3 PRO 49 2HD PRO 49 20.836 -7.211 4.283 367 H LEU 50 H LEU 50 15.608 -5.024 4.604 368 HA LEU 50 HA LEU 50 14.846 -5.042 2.019 369 HB2 LEU 50 1HB LEU 50 13.834 -3.268 4.245 370 HB3 LEU 50 2HB LEU 50 13.002 -3.532 2.725 371 HG LEU 50 HG LEU 50 13.684 -5.743 4.681 372 HD11 LEU 50 1HD1 LEU 50 11.175 -4.082 4.395 373 HD12 LEU 50 2HD1 LEU 50 11.206 -5.674 5.191 374 HD13 LEU 50 3HD1 LEU 50 12.179 -4.334 5.843 375 HD21 LEU 50 1HD2 LEU 50 12.689 -7.215 3.291 376 HD22 LEU 50 2HD2 LEU 50 11.487 -6.035 2.717 377 HD23 LEU 50 3HD2 LEU 50 13.138 -6.018 2.052 378 H ILE 51 H ILE 51 14.551 -3.483 0.331 379 HA ILE 51 HA ILE 51 16.410 -1.223 0.589 380 HB ILE 51 HB ILE 51 15.727 -3.037 -1.703 381 HG12 ILE 51 1HG1 ILE 51 18.342 -2.109 -0.478 382 HG13 ILE 51 2HG1 ILE 51 17.591 -3.676 -0.250 383 HG21 ILE 51 1HG2 ILE 51 16.532 -0.168 -1.810 384 HG22 ILE 51 2HG2 ILE 51 17.309 -1.297 -2.947 385 HG23 ILE 51 3HG2 ILE 51 15.537 -1.129 -2.930 386 HD11 ILE 51 1HD1 ILE 51 17.644 -3.836 -2.875 387 HD12 ILE 51 2HD1 ILE 51 18.848 -2.530 -2.757 388 HD13 ILE 51 3HD1 ILE 51 19.153 -4.095 -1.967 389 H ARG 52 H ARG 52 13.414 -2.282 -1.182 390 HA ARG 52 HA ARG 52 12.118 0.086 -0.321 391 HB2 ARG 52 1HB ARG 52 11.792 1.155 -2.451 392 HB3 ARG 52 2HB ARG 52 13.506 0.798 -2.373 393 HG2 ARG 52 1HG ARG 52 13.113 -1.307 -3.691 394 HG3 ARG 52 2HG ARG 52 11.409 -0.911 -3.794 395 HD2 ARG 52 1HD ARG 52 12.177 -0.026 -5.821 396 HD3 ARG 52 2HD ARG 52 12.278 1.392 -4.796 397 HE ARG 52 HE ARG 52 14.755 0.164 -4.472 398 HH11 ARG 52 2HH2 ARG 52 12.902 1.313 -7.234 399 HH12 ARG 52 1HH2 ARG 52 14.303 1.676 -8.185 400 HH21 ARG 52 2HH1 ARG 52 16.604 0.642 -5.727 401 HH22 ARG 52 1HH1 ARG 52 16.423 1.291 -7.322 402 H TYR 53 H TYR 53 9.809 0.170 -1.543 403 HA TYR 53 HA TYR 53 8.967 -2.583 -2.118 404 HB2 TYR 53 1HB TYR 53 7.952 -0.451 -0.167 405 HB3 TYR 53 2HB TYR 53 6.823 -1.634 -0.797 406 HD1 TYR 53 1HD TYR 53 10.236 -1.563 0.778 407 HD2 TYR 53 2HD TYR 53 6.447 -3.529 0.483 408 HE1 TYR 53 1HE TYR 53 10.940 -3.207 2.585 409 HE2 TYR 53 2HE TYR 53 7.164 -5.166 2.291 410 HH TYR 53 HH TYR 53 8.717 -5.769 3.656 411 H ILE 54 H ILE 54 7.718 -2.763 -3.926 412 HA ILE 54 HA ILE 54 6.997 -0.279 -5.247 413 HB ILE 54 HB ILE 54 6.993 -3.150 -6.183 414 HG12 ILE 54 1HG1 ILE 54 8.896 -0.881 -6.834 415 HG13 ILE 54 2HG1 ILE 54 9.235 -2.180 -5.708 416 HG21 ILE 54 1HG2 ILE 54 6.362 -2.449 -8.308 417 HG22 ILE 54 2HG2 ILE 54 5.304 -1.500 -7.236 418 HG23 ILE 54 3HG2 ILE 54 6.738 -0.743 -7.971 419 HD11 ILE 54 1HD1 ILE 54 9.939 -3.460 -7.434 420 HD12 ILE 54 2HD1 ILE 54 8.293 -3.419 -8.110 421 HD13 ILE 54 3HD1 ILE 54 9.482 -2.185 -8.588 422 H LEU 55 H LEU 55 5.156 0.572 -4.343 423 HA LEU 55 HA LEU 55 2.987 -1.232 -3.689 424 HB2 LEU 55 1HB LEU 55 3.417 0.402 -2.062 425 HB3 LEU 55 2HB LEU 55 3.537 1.689 -3.246 426 HG LEU 55 HG LEU 55 1.443 1.568 -1.757 427 HD11 LEU 55 1HD1 LEU 55 0.383 2.893 -3.245 428 HD12 LEU 55 2HD1 LEU 55 1.914 2.740 -4.139 429 HD13 LEU 55 3HD1 LEU 55 0.526 1.714 -4.571 430 HD21 LEU 55 1HD2 LEU 55 -0.384 0.175 -2.991 431 HD22 LEU 55 2HD2 LEU 55 0.999 -0.790 -3.561 432 HD23 LEU 55 3HD2 LEU 55 0.695 -0.615 -1.816 433 H GLU 56 H GLU 56 1.582 -1.874 -5.224 434 HA GLU 56 HA GLU 56 1.168 -0.018 -7.433 435 HB2 GLU 56 1HB GLU 56 1.227 -3.025 -7.248 436 HB3 GLU 56 2HB GLU 56 0.200 -2.294 -8.465 437 HG2 GLU 56 1HG GLU 56 2.143 -1.019 -9.363 438 HG3 GLU 56 2HG GLU 56 3.177 -1.696 -8.121 439 H MET 57 H MET 57 -0.919 0.685 -7.931 440 HA MET 57 HA MET 57 -2.968 -0.293 -6.098 441 HB2 MET 57 1HB MET 57 -2.731 2.024 -5.640 442 HB3 MET 57 2HB MET 57 -2.307 2.411 -7.296 443 HG2 MET 57 1HG MET 57 -5.088 1.371 -6.674 444 HG3 MET 57 2HG MET 57 -4.707 3.053 -6.364 445 HE1 MET 57 1HE MET 57 -2.865 4.140 -8.853 446 HE2 MET 57 2HE MET 57 -4.363 4.740 -9.603 447 HE3 MET 57 3HE MET 57 -4.198 4.728 -7.831 448 H SER 58 H SER 58 -5.133 -0.644 -6.923 449 HA SER 58 HA SER 58 -5.208 -0.775 -9.835 450 HB2 SER 58 1HB SER 58 -4.955 -3.048 -8.943 451 HB3 SER 58 2HB SER 58 -6.285 -2.803 -7.828 452 HG SER 58 HG SER 58 -7.683 -2.486 -9.746 453 H GLU 59 H GLU 59 -6.365 1.226 -9.987 454 HA GLU 59 HA GLU 59 -8.496 1.872 -8.352 455 HB2 GLU 59 1HB GLU 59 -7.073 3.260 -10.127 456 HB3 GLU 59 2HB GLU 59 -8.378 2.827 -11.214 457 HG2 GLU 59 1HG GLU 59 -9.893 3.650 -9.136 458 HG3 GLU 59 2HG GLU 59 -8.450 4.568 -8.755 459 H ASN 60 H ASN 60 -10.426 2.594 -10.585 460 HA ASN 60 HA ASN 60 -12.089 0.417 -10.302 461 HB2 ASN 60 1HB ASN 60 -12.036 2.933 -11.927 462 HB3 ASN 60 2HB ASN 60 -13.056 1.665 -12.576 463 HD21 ASN 60 1HD2 ASN 60 -14.121 4.019 -11.726 464 HD22 ASN 60 2HD2 ASN 60 -15.070 3.798 -10.294 465 H ASN 61 H ASN 61 -11.530 -1.613 -11.147 466 HA ASN 61 HA ASN 61 -10.786 -3.144 -12.503 467 HB2 ASN 61 1HB ASN 61 -12.652 -1.478 -14.014 468 HB3 ASN 61 2HB ASN 61 -11.458 -2.146 -15.109 469 HD21 ASN 61 1HD2 ASN 61 -11.918 -4.023 -15.944 470 HD22 ASN 61 2HD2 ASN 61 -12.909 -5.268 -15.262 471 H ALA 62 H ALA 62 -9.022 -0.700 -12.003 472 HA ALA 62 HA ALA 62 -7.581 -0.383 -14.492 473 HB1 ALA 62 1HB ALA 62 -7.907 1.042 -11.980 474 HB2 ALA 62 2HB ALA 62 -6.181 0.821 -12.355 475 HB3 ALA 62 3HB ALA 62 -7.251 1.622 -13.530 476 HA PRO 63 HA PRO 63 -4.688 -3.470 -13.578 477 HB2 PRO 63 1HB PRO 63 -2.625 -2.725 -15.208 478 HB3 PRO 63 2HB PRO 63 -4.030 -3.601 -15.781 479 HG2 PRO 63 1HG PRO 63 -3.351 -0.746 -16.141 480 HG3 PRO 63 2HG PRO 63 -4.496 -1.724 -17.038 481 HD2 PRO 63 1HD PRO 63 -5.109 0.214 -15.014 482 HD3 PRO 63 2HD PRO 63 -6.243 -0.846 -15.828 483 H TRP 64 H TRP 64 -2.998 -4.065 -12.239 484 HA TRP 64 HA TRP 64 -2.397 -2.409 -10.201 485 HB2 TRP 64 1HB TRP 64 -0.577 -4.494 -11.418 486 HB3 TRP 64 2HB TRP 64 -0.411 -3.809 -9.814 487 HD1 TRP 64 HD TRP 64 -1.849 -6.770 -11.414 488 HE1 TRP 64 1HE TRP 64 -3.606 -8.058 -9.925 489 HE3 TRP 64 3HE TRP 64 -2.526 -3.022 -8.045 490 HZ2 TRP 64 2HZ TRP 64 -5.050 -7.380 -7.559 491 HZ3 TRP 64 3HZ TRP 64 -4.127 -3.416 -6.175 492 HH2 TRP 64 HH TRP 64 -5.367 -5.505 -5.902 493 H THR 65 H THR 65 -1.715 -0.305 -10.364 494 HA THR 65 HA THR 65 0.426 0.252 -12.308 495 HB THR 65 HB THR 65 -1.691 1.456 -12.743 496 HG1 THR 65 1HG THR 65 0.407 2.580 -12.924 497 HG21 THR 65 1HG2 THR 65 -1.457 2.047 -9.787 498 HG22 THR 65 2HG2 THR 65 -2.097 3.326 -10.848 499 HG23 THR 65 3HG2 THR 65 -2.917 1.748 -10.761 500 H VAL 66 H VAL 66 2.372 1.002 -11.653 501 HA VAL 66 HA VAL 66 3.014 0.749 -8.921 502 HB VAL 66 HB VAL 66 4.466 1.865 -11.320 503 HG11 VAL 66 1HG1 VAL 66 5.345 1.635 -8.445 504 HG12 VAL 66 2HG1 VAL 66 6.523 1.501 -9.773 505 HG13 VAL 66 3HG1 VAL 66 5.557 2.984 -9.587 506 HG21 VAL 66 1HG2 VAL 66 5.264 -0.220 -11.678 507 HG22 VAL 66 2HG2 VAL 66 5.411 -0.578 -9.941 508 HG23 VAL 66 3HG2 VAL 66 3.831 -0.720 -10.748 509 H LEU 67 H LEU 67 1.987 2.106 -7.491 510 HA LEU 67 HA LEU 67 1.619 4.872 -8.181 511 HB2 LEU 67 1HB LEU 67 0.698 2.993 -6.113 512 HB3 LEU 67 2HB LEU 67 0.952 4.630 -5.543 513 HG LEU 67 HG LEU 67 -0.894 3.733 -7.768 514 HD11 LEU 67 1HD1 LEU 67 -1.454 3.532 -5.215 515 HD12 LEU 67 2HD1 LEU 67 -1.734 5.285 -5.345 516 HD13 LEU 67 3HD1 LEU 67 -2.663 4.158 -6.361 517 HD21 LEU 67 1HD2 LEU 67 -1.337 6.459 -7.181 518 HD22 LEU 67 2HD2 LEU 67 0.413 6.271 -7.442 519 HD23 LEU 67 3HD2 LEU 67 -0.735 5.741 -8.694 520 H LEU 68 H LEU 68 3.440 3.019 -5.640 521 HA LEU 68 HA LEU 68 5.272 5.314 -5.539 522 HB2 LEU 68 1HB LEU 68 3.658 4.257 -3.486 523 HB3 LEU 68 2HB LEU 68 5.293 3.736 -3.131 524 HG LEU 68 HG LEU 68 4.534 6.616 -3.681 525 HD11 LEU 68 1HD1 LEU 68 5.162 5.642 -0.925 526 HD12 LEU 68 2HD1 LEU 68 4.175 7.023 -1.459 527 HD13 LEU 68 3HD1 LEU 68 3.530 5.369 -1.581 528 HD21 LEU 68 1HD2 LEU 68 6.686 7.183 -3.362 529 HD22 LEU 68 2HD2 LEU 68 6.937 5.956 -2.097 530 HD23 LEU 68 3HD2 LEU 68 7.001 5.491 -3.814 531 H ALA 69 H ALA 69 7.087 4.753 -6.619 532 HA ALA 69 HA ALA 69 7.822 1.992 -6.853 533 HB1 ALA 69 1HB ALA 69 9.776 4.044 -7.670 534 HB2 ALA 69 2HB ALA 69 9.020 2.742 -8.621 535 HB3 ALA 69 3HB ALA 69 8.157 4.279 -8.371 536 H SER 70 H SER 70 9.715 4.892 -5.744 537 HA SER 70 HA SER 70 11.330 3.159 -4.161 538 HB2 SER 70 1HB SER 70 11.721 6.007 -3.642 539 HB3 SER 70 2HB SER 70 12.841 4.840 -4.315 540 HG SER 70 HG SER 70 11.919 5.168 -6.405 541 H VAL 71 H VAL 71 10.272 2.344 -2.349 542 HA VAL 71 HA VAL 71 8.947 4.335 -0.640 543 HB VAL 71 HB VAL 71 8.348 1.469 -1.292 544 HG11 VAL 71 1HG1 VAL 71 6.758 1.439 0.639 545 HG12 VAL 71 2HG1 VAL 71 8.472 1.437 1.117 546 HG13 VAL 71 3HG1 VAL 71 7.518 2.935 1.234 547 HG21 VAL 71 1HG2 VAL 71 7.270 3.501 -2.434 548 HG22 VAL 71 2HG2 VAL 71 6.181 2.250 -1.789 549 HG23 VAL 71 3HG2 VAL 71 6.424 3.767 -0.890 550 H ASP 72 H ASP 72 9.265 4.110 1.681 551 HA ASP 72 HA ASP 72 11.928 3.545 2.278 552 HB2 ASP 72 1HB ASP 72 9.617 4.704 3.568 553 HB3 ASP 72 2HB ASP 72 10.307 3.527 4.669 554 HA PRO 73 HA PRO 73 11.359 -0.732 3.176 555 HB2 PRO 73 1HB PRO 73 13.853 -1.295 4.142 556 HB3 PRO 73 2HB PRO 73 13.475 -1.252 2.432 557 HG2 PRO 73 1HG PRO 73 14.945 0.733 4.056 558 HG3 PRO 73 2HG PRO 73 14.923 0.540 2.314 559 HD2 PRO 73 1HD PRO 73 13.531 2.533 3.838 560 HD3 PRO 73 2HD PRO 73 13.418 2.267 2.109 561 H LYS 74 H LYS 74 12.302 1.590 5.528 562 HA LYS 74 HA LYS 74 11.661 -0.288 7.658 563 HB2 LYS 74 1HB LYS 74 12.683 2.560 7.841 564 HB3 LYS 74 2HB LYS 74 12.571 1.398 9.147 565 HG2 LYS 74 1HG LYS 74 14.047 -0.093 7.437 566 HG3 LYS 74 2HG LYS 74 14.508 1.490 6.844 567 HD2 LYS 74 1HD LYS 74 14.742 0.529 9.735 568 HD3 LYS 74 2HD LYS 74 16.071 0.720 8.609 569 HE2 LYS 74 1HE LYS 74 14.301 3.115 9.074 570 HE3 LYS 74 2HE LYS 74 15.387 2.655 10.371 571 HZ1 LYS 74 1HZ LYS 74 16.323 2.962 7.612 572 HZ2 LYS 74 2HZ LYS 74 16.283 4.214 8.659 573 HZ3 LYS 74 3HZ LYS 74 17.219 2.915 8.976 574 H ALA 75 H ALA 75 9.771 1.082 5.552 575 HA ALA 75 HA ALA 75 7.989 2.352 7.508 576 HB1 ALA 75 1HB ALA 75 8.518 2.689 4.574 577 HB2 ALA 75 2HB ALA 75 6.862 2.975 5.163 578 HB3 ALA 75 3HB ALA 75 8.218 3.917 5.828 579 H THR 76 H THR 76 5.881 1.568 7.803 580 HA THR 76 HA THR 76 5.308 -0.964 6.406 581 HB THR 76 HB THR 76 4.047 -1.363 8.722 582 HG1 THR 76 1HG THR 76 5.347 -0.167 10.376 583 HG21 THR 76 1HG2 THR 76 6.850 -1.483 9.483 584 HG22 THR 76 2HG2 THR 76 5.761 -2.830 9.076 585 HG23 THR 76 3HG2 THR 76 6.684 -2.014 7.792 586 H SER 77 H SER 77 4.499 2.255 6.627 587 HA SER 77 HA SER 77 1.846 1.607 5.674 588 HB2 SER 77 1HB SER 77 1.023 3.697 6.995 589 HB3 SER 77 2HB SER 77 1.225 2.191 7.867 590 HG SER 77 HG SER 77 2.527 3.282 9.161 591 H VAL 78 H VAL 78 0.981 3.248 4.204 592 HA VAL 78 HA VAL 78 2.795 5.434 3.562 593 HB VAL 78 HB VAL 78 3.391 3.414 2.194 594 HG11 VAL 78 1HG1 VAL 78 0.727 3.920 0.830 595 HG12 VAL 78 2HG1 VAL 78 1.938 2.683 0.415 596 HG13 VAL 78 3HG1 VAL 78 1.046 2.574 1.951 597 HG21 VAL 78 1HG2 VAL 78 2.457 5.293 0.138 598 HG22 VAL 78 2HG2 VAL 78 3.275 6.084 1.507 599 HG23 VAL 78 3HG2 VAL 78 4.110 4.810 0.586 600 H THR 79 H THR 79 1.724 7.105 2.214 601 HA THR 79 HA THR 79 -1.200 6.983 2.564 602 HB THR 79 HB THR 79 0.662 9.415 2.589 603 HG1 THR 79 1HG THR 79 -0.708 7.798 4.622 604 HG21 THR 79 1HG2 THR 79 -1.764 9.746 4.084 605 HG22 THR 79 2HG2 THR 79 -1.280 10.616 2.609 606 HG23 THR 79 3HG2 THR 79 -2.230 9.116 2.486 607 H VAL 80 H VAL 80 -2.487 7.199 0.824 608 HA VAL 80 HA VAL 80 -1.102 7.775 -1.698 609 HB VAL 80 HB VAL 80 -3.704 6.319 -1.193 610 HG11 VAL 80 1HG1 VAL 80 -2.040 6.396 -3.726 611 HG12 VAL 80 2HG1 VAL 80 -3.668 5.712 -3.504 612 HG13 VAL 80 3HG1 VAL 80 -3.424 7.473 -3.424 613 HG21 VAL 80 1HG2 VAL 80 -2.592 4.390 -0.927 614 HG22 VAL 80 2HG2 VAL 80 -1.466 4.756 -2.256 615 HG23 VAL 80 3HG2 VAL 80 -1.155 5.395 -0.624 616 H LYS 81 H LYS 81 -1.228 9.973 -1.988 617 HA LYS 81 HA LYS 81 -3.825 11.218 -1.478 618 HB2 LYS 81 1HB LYS 81 -1.165 12.568 -2.006 619 HB3 LYS 81 2HB LYS 81 -2.641 13.316 -1.431 620 HG2 LYS 81 1HG LYS 81 -2.392 12.499 0.723 621 HG3 LYS 81 2HG LYS 81 -1.652 11.003 0.191 622 HD2 LYS 81 1HD LYS 81 0.117 13.182 -0.512 623 HD3 LYS 81 2HD LYS 81 -0.353 13.381 1.164 624 HE2 LYS 81 1HE LYS 81 1.327 11.881 1.585 625 HE3 LYS 81 2HE LYS 81 0.143 10.676 1.120 626 HZ1 LYS 81 1HZ LYS 81 0.994 11.138 -1.220 627 HZ2 LYS 81 2HZ LYS 81 2.291 11.812 -0.492 628 HZ3 LYS 81 3HZ LYS 81 1.929 10.242 -0.226 629 H GLY 82 H GLY 82 -4.549 12.885 -3.120 630 HA2 GLY 82 1HA GLY 82 -4.980 13.542 -5.239 631 HA3 GLY 82 2HA GLY 82 -3.539 12.709 -5.787 632 H LEU 83 H LEU 83 -6.680 11.711 -4.231 633 HA LEU 83 HA LEU 83 -6.840 9.608 -6.272 634 HB2 LEU 83 1HB LEU 83 -7.916 9.768 -3.458 635 HB3 LEU 83 2HB LEU 83 -8.416 8.546 -4.609 636 HG LEU 83 HG LEU 83 -5.761 8.905 -3.255 637 HD11 LEU 83 1HD1 LEU 83 -7.706 6.623 -3.630 638 HD12 LEU 83 2HD1 LEU 83 -6.058 6.399 -2.995 639 HD13 LEU 83 3HD1 LEU 83 -7.216 7.430 -2.121 640 HD21 LEU 83 1HD2 LEU 83 -6.232 7.597 -5.931 641 HD22 LEU 83 2HD2 LEU 83 -4.972 8.760 -5.454 642 HD23 LEU 83 3HD2 LEU 83 -4.912 7.087 -4.851 643 H VAL 84 H VAL 84 -9.029 9.108 -7.115 644 HA VAL 84 HA VAL 84 -10.425 11.593 -7.614 645 HB VAL 84 HB VAL 84 -10.723 8.796 -8.725 646 HG11 VAL 84 1HG1 VAL 84 -11.923 11.301 -9.915 647 HG12 VAL 84 2HG1 VAL 84 -12.296 9.598 -10.276 648 HG13 VAL 84 3HG1 VAL 84 -12.806 10.312 -8.727 649 HG21 VAL 84 1HG2 VAL 84 -9.622 11.239 -10.131 650 HG22 VAL 84 2HG2 VAL 84 -8.590 10.112 -9.219 651 HG23 VAL 84 3HG2 VAL 84 -9.517 9.532 -10.623 652 HA PRO 85 HA PRO 85 -13.550 10.722 -4.748 653 HB2 PRO 85 1HB PRO 85 -15.450 12.504 -5.575 654 HB3 PRO 85 2HB PRO 85 -14.090 12.953 -4.565 655 HG2 PRO 85 1HG PRO 85 -14.513 13.477 -7.443 656 HG3 PRO 85 2HG PRO 85 -13.403 14.260 -6.337 657 HD2 PRO 85 1HD PRO 85 -12.749 12.288 -8.315 658 HD3 PRO 85 2HD PRO 85 -11.661 12.986 -7.131 659 H ALA 86 H ALA 86 -15.297 9.406 -4.357 660 HA ALA 86 HA ALA 86 -16.772 7.841 -4.875 661 HB1 ALA 86 1HB ALA 86 -18.420 9.189 -5.667 662 HB2 ALA 86 2HB ALA 86 -17.315 10.066 -6.753 663 HB3 ALA 86 3HB ALA 86 -17.988 8.494 -7.248 664 H ARG 87 H ARG 87 -14.216 7.074 -5.399 665 HA ARG 87 HA ARG 87 -14.654 5.387 -7.685 666 HB2 ARG 87 1HB ARG 87 -12.480 7.461 -7.469 667 HB3 ARG 87 2HB ARG 87 -12.027 5.913 -8.154 668 HG2 ARG 87 1HG ARG 87 -14.287 6.283 -9.575 669 HG3 ARG 87 2HG ARG 87 -13.964 7.967 -9.214 670 HD2 ARG 87 1HD ARG 87 -11.601 7.639 -10.113 671 HD3 ARG 87 2HD ARG 87 -12.060 6.019 -10.601 672 HE ARG 87 HE ARG 87 -13.900 8.070 -11.590 673 HH11 ARG 87 2HH2 ARG 87 -10.892 6.358 -12.227 674 HH12 ARG 87 1HH2 ARG 87 -10.943 6.643 -13.935 675 HH21 ARG 87 2HH1 ARG 87 -13.967 8.446 -13.843 676 HH22 ARG 87 1HH1 ARG 87 -12.704 7.838 -14.860 677 H SER 88 H SER 88 -13.601 3.337 -7.463 678 HA SER 88 HA SER 88 -12.740 2.797 -4.805 679 HB2 SER 88 1HB SER 88 -13.329 1.177 -7.276 680 HB3 SER 88 2HB SER 88 -12.352 0.436 -6.023 681 HG SER 88 HG SER 88 -14.832 1.737 -5.358 682 H TYR 89 H TYR 89 -10.638 1.945 -4.189 683 HA TYR 89 HA TYR 89 -8.555 2.077 -6.223 684 HB2 TYR 89 1HB TYR 89 -8.945 3.751 -3.693 685 HB3 TYR 89 2HB TYR 89 -7.310 3.383 -4.207 686 HD1 TYR 89 2HD TYR 89 -6.470 4.233 -6.408 687 HD2 TYR 89 1HD TYR 89 -10.276 5.395 -4.835 688 HE1 TYR 89 2HE TYR 89 -6.539 6.204 -8.012 689 HE2 TYR 89 1HE TYR 89 -10.332 7.362 -6.445 690 HH TYR 89 HH TYR 89 -8.196 7.612 -9.060 691 H GLN 90 H GLN 90 -7.083 0.451 -5.973 692 HA GLN 90 HA GLN 90 -7.248 -0.985 -3.442 693 HB2 GLN 90 1HB GLN 90 -7.055 -1.845 -6.278 694 HB3 GLN 90 2HB GLN 90 -5.986 -2.714 -5.195 695 HG2 GLN 90 1HG GLN 90 -8.009 -3.084 -3.657 696 HG3 GLN 90 2HG GLN 90 -9.012 -2.424 -4.933 697 HE21 GLN 90 1HE2 GLN 90 -9.631 -4.849 -4.191 698 HE22 GLN 90 2HE2 GLN 90 -9.133 -6.067 -5.318 699 H PHE 91 H PHE 91 -5.064 -2.268 -2.992 700 HA PHE 91 HA PHE 91 -2.732 -0.840 -3.907 701 HB2 PHE 91 1HB PHE 91 -3.725 -0.949 -0.996 702 HB3 PHE 91 2HB PHE 91 -2.104 -0.443 -1.431 703 HD1 PHE 91 2HD PHE 91 -1.996 1.529 -3.189 704 HD2 PHE 91 1HD PHE 91 -5.358 0.667 -0.746 705 HE1 PHE 91 2HE PHE 91 -2.809 3.886 -3.476 706 HE2 PHE 91 1HE PHE 91 -6.171 3.025 -1.033 707 HZ PHE 91 HZ PHE 91 -4.887 4.606 -2.395 708 H ARG 92 H ARG 92 -0.819 -2.065 -3.687 709 HA ARG 92 HA ARG 92 -0.756 -4.306 -1.997 710 HB2 ARG 92 1HB ARG 92 -0.425 -5.978 -3.950 711 HB3 ARG 92 2HB ARG 92 -2.071 -5.479 -3.617 712 HG2 ARG 92 1HG ARG 92 -2.160 -4.036 -5.504 713 HG3 ARG 92 2HG ARG 92 -0.415 -3.923 -5.625 714 HD2 ARG 92 1HD ARG 92 -0.874 -6.671 -5.925 715 HD3 ARG 92 2HD ARG 92 -2.245 -5.959 -6.751 716 HE ARG 92 HE ARG 92 -0.190 -4.460 -7.750 717 HH11 ARG 92 2HH2 ARG 92 -0.577 -7.938 -7.381 718 HH12 ARG 92 1HH2 ARG 92 0.422 -8.322 -8.743 719 HH21 ARG 92 2HH1 ARG 92 1.129 -4.966 -9.547 720 HH22 ARG 92 1HH1 ARG 92 1.399 -6.621 -9.983 721 H LEU 93 H LEU 93 1.316 -3.792 -1.290 722 HA LEU 93 HA LEU 93 3.316 -3.259 -3.369 723 HB2 LEU 93 1HB LEU 93 4.534 -2.017 -1.777 724 HB3 LEU 93 2HB LEU 93 2.871 -1.466 -1.721 725 HG LEU 93 HG LEU 93 4.006 -3.457 0.254 726 HD11 LEU 93 1HD1 LEU 93 5.336 -1.702 0.830 727 HD12 LEU 93 2HD1 LEU 93 4.213 -0.484 0.180 728 HD13 LEU 93 3HD1 LEU 93 3.875 -1.260 1.746 729 HD21 LEU 93 1HD2 LEU 93 2.012 -2.193 1.552 730 HD22 LEU 93 2HD2 LEU 93 1.399 -2.096 -0.117 731 HD23 LEU 93 3HD2 LEU 93 1.785 -3.680 0.599 732 H CYS 94 H CYS 94 5.504 -4.191 -3.006 733 HA CYS 94 HA CYS 94 5.304 -6.704 -1.513 734 HB2 CYS 94 1HB CYS 94 6.661 -7.798 -3.228 735 HB3 CYS 94 2HB CYS 94 5.171 -7.177 -3.911 736 HG CYS 94 HG CYS 94 6.569 -6.443 -5.756 737 H ALA 95 H ALA 95 7.765 -7.570 -1.243 738 HA ALA 95 HA ALA 95 9.237 -5.275 -0.176 739 HB1 ALA 95 1HB ALA 95 10.370 -6.978 1.213 740 HB2 ALA 95 2HB ALA 95 8.603 -7.057 1.407 741 HB3 ALA 95 3HB ALA 95 9.442 -8.260 0.398 742 H VAL 96 H VAL 96 11.058 -4.580 -1.184 743 HA VAL 96 HA VAL 96 12.339 -6.475 -3.030 744 HB VAL 96 HB VAL 96 12.005 -3.489 -3.379 745 HG11 VAL 96 1HG1 VAL 96 13.725 -3.688 -4.793 746 HG12 VAL 96 2HG1 VAL 96 13.736 -5.461 -4.636 747 HG13 VAL 96 3HG1 VAL 96 12.665 -4.679 -5.824 748 HG21 VAL 96 1HG2 VAL 96 10.732 -5.500 -5.201 749 HG22 VAL 96 2HG2 VAL 96 9.956 -5.146 -3.639 750 HG23 VAL 96 3HG2 VAL 96 10.236 -3.835 -4.810 751 H ASN 97 H ASN 97 14.406 -6.937 -2.489 752 HA ASN 97 HA ASN 97 15.825 -4.886 -0.988 753 HB2 ASN 97 1HB ASN 97 16.986 -7.033 0.103 754 HB3 ASN 97 2HB ASN 97 15.480 -6.421 0.757 755 HD21 ASN 97 1HD2 ASN 97 15.885 -8.870 1.396 756 HD22 ASN 97 2HD2 ASN 97 14.979 -10.018 0.467 757 H ASP 98 H ASP 98 18.351 -5.956 -0.860 758 HA ASP 98 HA ASP 98 19.374 -5.644 -3.331 759 HB2 ASP 98 1HB ASP 98 20.612 -5.732 -1.111 760 HB3 ASP 98 2HB ASP 98 20.505 -7.480 -1.168 761 H VAL 99 H VAL 99 18.745 -8.769 -1.556 762 HA VAL 99 HA VAL 99 19.570 -10.566 -3.396 763 HB VAL 99 HB VAL 99 18.120 -12.117 -2.357 764 HG11 VAL 99 1HG1 VAL 99 18.520 -10.097 -0.153 765 HG12 VAL 99 2HG1 VAL 99 18.702 -11.867 -0.107 766 HG13 VAL 99 3HG1 VAL 99 19.908 -10.869 -0.955 767 HG21 VAL 99 1HG2 VAL 99 16.279 -11.165 -0.762 768 HG22 VAL 99 2HG2 VAL 99 16.389 -9.720 -1.797 769 HG23 VAL 99 3HG2 VAL 99 15.954 -11.293 -2.508 770 H GLY 100 H GLY 100 16.482 -8.709 -3.376 771 HA2 GLY 100 1HA GLY 100 16.116 -8.308 -5.981 772 HA3 GLY 100 2HA GLY 100 15.623 -9.984 -5.847 773 H LYS 101 H LYS 101 13.402 -9.591 -6.294 774 HA LYS 101 HA LYS 101 12.033 -8.008 -4.232 775 HB2 LYS 101 1HB LYS 101 11.691 -6.913 -6.291 776 HB3 LYS 101 2HB LYS 101 11.459 -8.413 -7.165 777 HG2 LYS 101 1HG LYS 101 9.391 -8.792 -5.625 778 HG3 LYS 101 2HG LYS 101 9.566 -7.109 -5.170 779 HD2 LYS 101 1HD LYS 101 9.244 -8.110 -8.040 780 HD3 LYS 101 2HD LYS 101 7.948 -7.446 -7.065 781 HE2 LYS 101 1HE LYS 101 8.746 -5.266 -7.221 782 HE3 LYS 101 2HE LYS 101 10.425 -5.765 -7.291 783 HZ1 LYS 101 1HZ LYS 101 8.924 -6.658 -9.530 784 HZ2 LYS 101 2HZ LYS 101 8.924 -5.030 -9.395 785 HZ3 LYS 101 3HZ LYS 101 10.338 -5.843 -9.487 786 H GLY 102 H GLY 102 10.032 -8.864 -3.375 787 HA2 GLY 102 1HA GLY 102 10.027 -11.803 -3.407 788 HA3 GLY 102 2HA GLY 102 9.338 -10.760 -2.179 789 H GLN 103 H GLN 103 7.139 -10.674 -2.168 790 HA GLN 103 HA GLN 103 5.832 -10.765 -4.765 791 HB2 GLN 103 1HB GLN 103 4.033 -12.197 -3.735 792 HB3 GLN 103 2HB GLN 103 5.582 -13.004 -3.876 793 HG2 GLN 103 1HG GLN 103 5.498 -11.613 -1.334 794 HG3 GLN 103 2HG GLN 103 4.031 -12.556 -1.499 795 HE21 GLN 103 1HE2 GLN 103 4.089 -14.756 -1.540 796 HE22 GLN 103 2HE2 GLN 103 5.497 -15.703 -1.191 797 H PHE 104 H PHE 104 3.505 -9.919 -4.638 798 HA PHE 104 HA PHE 104 3.531 -7.593 -2.907 799 HB2 PHE 104 1HB PHE 104 1.713 -8.597 -5.179 800 HB3 PHE 104 2HB PHE 104 1.538 -7.026 -4.422 801 HD1 PHE 104 2HD PHE 104 3.943 -9.100 -6.353 802 HD2 PHE 104 1HD PHE 104 2.743 -5.190 -5.223 803 HE1 PHE 104 2HE PHE 104 5.568 -8.125 -8.000 804 HE2 PHE 104 1HE PHE 104 4.367 -4.215 -6.869 805 HZ PHE 104 HZ PHE 104 5.760 -5.695 -8.238 806 H SER 105 H SER 105 1.824 -7.047 -1.457 807 HA SER 105 HA SER 105 0.691 -9.291 -0.203 808 HB2 SER 105 1HB SER 105 -0.555 -7.401 1.111 809 HB3 SER 105 2HB SER 105 1.185 -7.534 1.271 810 HG SER 105 HG SER 105 -0.370 -5.552 -0.041 811 H LYS 106 H LYS 106 -1.680 -9.631 0.178 812 HA LYS 106 HA LYS 106 -3.102 -9.764 -2.176 813 HB2 LYS 106 1HB LYS 106 -4.926 -10.506 -0.852 814 HB3 LYS 106 2HB LYS 106 -3.468 -11.085 -0.072 815 HG2 LYS 106 1HG LYS 106 -4.544 -10.195 1.781 816 HG3 LYS 106 2HG LYS 106 -3.653 -8.775 1.272 817 HD2 LYS 106 1HD LYS 106 -5.674 -7.721 1.241 818 HD3 LYS 106 2HD LYS 106 -5.947 -8.561 -0.272 819 HE2 LYS 106 1HE LYS 106 -7.615 -9.795 0.649 820 HE3 LYS 106 2HE LYS 106 -6.551 -10.371 1.916 821 HZ1 LYS 106 1HZ LYS 106 -7.938 -7.780 1.955 822 HZ2 LYS 106 2HZ LYS 106 -8.415 -9.111 2.772 823 HZ3 LYS 106 3HZ LYS 106 -7.004 -8.382 3.151 824 H ASP 107 H ASP 107 -5.301 -8.682 -2.595 825 HA ASP 107 HA ASP 107 -4.801 -5.929 -2.784 826 HB2 ASP 107 1HB ASP 107 -7.214 -5.901 -3.659 827 HB3 ASP 107 2HB ASP 107 -6.092 -6.927 -4.530 828 H THR 108 H THR 108 -4.986 -4.595 -0.970 829 HA THR 108 HA THR 108 -6.335 -5.260 1.359 830 HB THR 108 HB THR 108 -6.049 -2.753 1.792 831 HG1 THR 108 1HG THR 108 -5.905 -1.622 -0.102 832 HG21 THR 108 1HG2 THR 108 -3.969 -3.557 2.375 833 HG22 THR 108 2HG2 THR 108 -3.902 -4.640 0.964 834 HG23 THR 108 3HG2 THR 108 -3.458 -2.925 0.792 835 H GLU 109 H GLU 109 -8.289 -4.516 2.330 836 HA GLU 109 HA GLU 109 -10.505 -4.940 0.965 837 HB2 GLU 109 1HB GLU 109 -9.886 -3.964 3.500 838 HB3 GLU 109 2HB GLU 109 -10.864 -2.673 2.830 839 HG2 GLU 109 1HG GLU 109 -12.442 -4.694 2.061 840 HG3 GLU 109 2HG GLU 109 -11.621 -5.553 3.349 841 H ARG 110 H ARG 110 -11.491 -4.080 -0.809 842 HA ARG 110 HA ARG 110 -10.595 -2.117 -2.297 843 HB2 ARG 110 1HB ARG 110 -12.830 -3.667 -2.368 844 HB3 ARG 110 2HB ARG 110 -13.591 -2.138 -1.974 845 HG2 ARG 110 1HG ARG 110 -12.193 -1.143 -3.944 846 HG3 ARG 110 2HG ARG 110 -11.898 -2.806 -4.413 847 HD2 ARG 110 1HD ARG 110 -14.756 -2.083 -3.838 848 HD3 ARG 110 2HD ARG 110 -14.055 -1.375 -5.279 849 HE ARG 110 HE ARG 110 -14.639 -4.217 -4.831 850 HH11 ARG 110 2HH2 ARG 110 -12.788 -1.905 -6.732 851 HH12 ARG 110 1HH2 ARG 110 -12.564 -2.988 -8.065 852 HH21 ARG 110 2HH1 ARG 110 -14.344 -5.645 -6.590 853 HH22 ARG 110 1HH1 ARG 110 -13.455 -5.129 -7.984 854 H VAL 111 H VAL 111 -10.095 0.017 -1.907 855 HA VAL 111 HA VAL 111 -11.561 1.384 0.211 856 HB VAL 111 HB VAL 111 -9.144 2.383 -1.281 857 HG11 VAL 111 1HG1 VAL 111 -10.567 3.054 1.266 858 HG12 VAL 111 2HG1 VAL 111 -8.802 3.273 1.199 859 HG13 VAL 111 3HG1 VAL 111 -9.849 4.124 0.039 860 HG21 VAL 111 1HG2 VAL 111 -7.825 1.377 0.668 861 HG22 VAL 111 2HG2 VAL 111 -9.257 0.364 0.970 862 HG23 VAL 111 3HG2 VAL 111 -8.399 0.250 -0.585 863 H SER 112 H SER 112 -13.116 2.866 -0.225 864 HA SER 112 HA SER 112 -13.335 3.665 -3.014 865 HB2 SER 112 1HB SER 112 -15.683 3.918 -2.673 866 HB3 SER 112 2HB SER 112 -15.257 2.426 -1.861 867 HG SER 112 HG SER 112 -16.405 4.662 -0.810 868 H LEU 113 H LEU 113 -13.383 5.875 -3.577 869 HA LEU 113 HA LEU 113 -12.355 7.653 -1.573 870 HB2 LEU 113 1HB LEU 113 -12.357 7.440 -4.420 871 HB3 LEU 113 2HB LEU 113 -13.028 9.000 -3.987 872 HG LEU 113 HG LEU 113 -10.390 8.509 -4.307 873 HD11 LEU 113 1HD1 LEU 113 -12.027 10.621 -3.356 874 HD12 LEU 113 2HD1 LEU 113 -10.598 10.537 -2.297 875 HD13 LEU 113 3HD1 LEU 113 -10.393 10.711 -4.057 876 HD21 LEU 113 1HD2 LEU 113 -10.580 7.004 -2.207 877 HD22 LEU 113 2HD2 LEU 113 -9.216 8.140 -2.339 878 HD23 LEU 113 3HD2 LEU 113 -10.610 8.540 -1.307 879 HA PRO 114 HA PRO 114 -16.135 9.414 -0.458 880 HB2 PRO 114 1HB PRO 114 -15.318 11.830 0.526 881 HB3 PRO 114 2HB PRO 114 -15.223 10.340 1.443 882 HG2 PRO 114 1HG PRO 114 -13.049 11.846 0.123 883 HG3 PRO 114 2HG PRO 114 -12.935 10.623 1.373 884 HD2 PRO 114 1HD PRO 114 -12.375 10.279 -1.419 885 HD3 PRO 114 2HD PRO 114 -12.374 9.032 -0.188 886 H GLU 115 H GLU 115 -17.794 10.040 -1.675 887 HA GLU 115 HA GLU 115 -17.262 11.393 -4.036 888 HB2 GLU 115 1HB GLU 115 -19.298 9.898 -3.283 889 HB3 GLU 115 2HB GLU 115 -19.988 11.405 -2.715 890 HG2 GLU 115 1HG GLU 115 -18.897 11.130 -5.544 891 HG3 GLU 115 2HG GLU 115 -20.539 10.659 -5.151 892 H SER 116 H SER 116 -16.386 13.437 -4.036 893 HA SER 116 HA SER 116 -16.468 15.268 -2.111 894 HB2 SER 116 1HB SER 116 -15.733 16.831 -3.709 895 HB3 SER 116 2HB SER 116 -15.320 15.298 -4.450 896 HG SER 116 HG SER 116 -16.356 16.591 -6.015 897 H GLY 117 H GLY 117 -17.748 17.237 -1.688 898 HA2 GLY 117 1HA GLY 117 -20.541 17.000 -2.639 899 HA3 GLY 117 2HA GLY 117 -20.110 17.399 -0.988 900 HA PRO 118 HA PRO 118 -19.919 21.128 -3.880 901 HB2 PRO 118 1HB PRO 118 -22.494 21.762 -4.539 902 HB3 PRO 118 2HB PRO 118 -21.413 20.902 -5.617 903 HG2 PRO 118 1HG PRO 118 -23.676 19.849 -4.034 904 HG3 PRO 118 2HG PRO 118 -22.869 19.125 -5.411 905 HD2 PRO 118 1HD PRO 118 -22.542 18.401 -2.655 906 HD3 PRO 118 2HD PRO 118 -21.650 17.759 -4.020 907 H SER 119 H SER 119 -19.420 21.182 -1.381 908 HA SER 119 HA SER 119 -19.631 22.271 0.487 909 HB2 SER 119 1HB SER 119 -19.356 24.196 -1.135 910 HB3 SER 119 2HB SER 119 -21.098 24.384 -1.151 911 HG SER 119 HG SER 119 -20.355 25.824 0.397 912 H SER 120 H SER 120 -21.040 20.811 1.595 913 HA SER 120 HA SER 120 -23.849 21.079 1.226 914 HB2 SER 120 1HB SER 120 -24.045 19.182 2.619 915 HB3 SER 120 2HB SER 120 -22.519 18.928 1.797 916 HG SER 120 HG SER 120 -21.638 20.165 3.826 917 H GLY 121 H GLY 121 -25.164 22.499 2.314 918 HA2 GLY 121 1HA GLY 121 -25.916 23.920 3.888 919 HA3 GLY 121 2HA GLY 121 -24.888 23.106 5.051 Start of MODEL 16 1 H1 GLY 1 H GLY 1 9.075 -30.244 -9.189 2 HA2 GLY 1 1HA GLY 1 6.689 -30.762 -8.553 3 HA3 GLY 1 2HA GLY 1 6.560 -31.457 -10.156 4 H SER 2 H SER 2 7.773 -31.876 -6.884 5 HA SER 2 HA SER 2 8.361 -33.682 -5.812 6 HB2 SER 2 1HB SER 2 6.854 -34.828 -7.699 7 HB3 SER 2 2HB SER 2 8.395 -35.448 -8.258 8 HG SER 2 HG SER 2 7.187 -36.810 -6.661 9 H SER 3 H SER 3 9.764 -33.880 -9.170 10 HA SER 3 HA SER 3 12.110 -35.016 -8.618 11 HB2 SER 3 1HB SER 3 12.984 -33.957 -10.613 12 HB3 SER 3 2HB SER 3 11.278 -34.263 -10.874 13 HG SER 3 HG SER 3 11.275 -31.856 -9.821 14 H GLY 4 H GLY 4 14.300 -34.236 -8.128 15 HA2 GLY 4 1HA GLY 4 15.521 -32.078 -7.637 16 HA3 GLY 4 2HA GLY 4 14.251 -31.796 -6.462 17 H SER 5 H SER 5 16.747 -31.823 -5.427 18 HA SER 5 HA SER 5 16.720 -34.322 -3.970 19 HB2 SER 5 1HB SER 5 19.208 -33.121 -5.263 20 HB3 SER 5 2HB SER 5 19.240 -34.427 -4.095 21 HG SER 5 HG SER 5 17.719 -35.563 -5.666 22 H SER 6 H SER 6 18.310 -34.095 -1.975 23 HA SER 6 HA SER 6 17.853 -31.421 -0.942 24 HB2 SER 6 1HB SER 6 16.868 -32.984 0.523 25 HB3 SER 6 2HB SER 6 18.159 -34.151 0.318 26 HG SER 6 HG SER 6 19.210 -33.276 1.962 27 H GLY 7 H GLY 7 19.585 -30.315 0.251 28 HA2 GLY 7 1HA GLY 7 22.278 -31.433 -0.103 29 HA3 GLY 7 2HA GLY 7 21.910 -29.873 -0.811 30 H ARG 8 H ARG 8 23.434 -28.779 0.567 31 HA ARG 8 HA ARG 8 22.267 -27.931 2.972 32 HB2 ARG 8 1HB ARG 8 24.341 -30.066 3.072 33 HB3 ARG 8 2HB ARG 8 24.698 -28.691 4.098 34 HG2 ARG 8 1HG ARG 8 23.069 -29.251 5.587 35 HG3 ARG 8 2HG ARG 8 21.873 -29.450 4.321 36 HD2 ARG 8 1HD ARG 8 22.204 -31.729 4.174 37 HD3 ARG 8 2HD ARG 8 23.935 -31.603 4.410 38 HE ARG 8 HE ARG 8 23.586 -32.037 6.670 39 HH11 ARG 8 2HH2 ARG 8 20.649 -30.622 5.347 40 HH12 ARG 8 1HH2 ARG 8 19.760 -30.767 6.826 41 HH21 ARG 8 2HH1 ARG 8 22.414 -32.229 8.622 42 HH22 ARG 8 1HH1 ARG 8 20.771 -31.687 8.702 43 H SER 9 H SER 9 23.051 -25.852 3.441 44 HA SER 9 HA SER 9 25.440 -25.091 1.947 45 HB2 SER 9 1HB SER 9 23.394 -24.032 1.048 46 HB3 SER 9 2HB SER 9 22.987 -23.413 2.636 47 HG SER 9 HG SER 9 25.576 -22.731 1.778 48 H ALA 10 H ALA 10 27.010 -23.809 3.045 49 HA ALA 10 HA ALA 10 26.408 -22.953 5.748 50 HB1 ALA 10 1HB ALA 10 28.138 -25.284 5.036 51 HB2 ALA 10 2HB ALA 10 28.759 -24.168 6.275 52 HB3 ALA 10 3HB ALA 10 27.188 -24.972 6.509 53 H HIS 11 H HIS 11 28.323 -21.654 6.637 54 HA HIS 11 HA HIS 11 29.777 -20.025 6.430 55 HB2 HIS 11 1HB HIS 11 30.872 -22.013 4.953 56 HB3 HIS 11 2HB HIS 11 30.737 -20.775 3.720 57 HD1 HIS 11 1HD HIS 11 33.031 -19.806 3.483 58 HD2 HIS 11 2HD HIS 11 31.934 -20.310 7.501 59 HE1 HIS 11 1HE HIS 11 34.925 -18.810 4.871 60 H LEU 12 H LEU 12 29.540 -17.873 5.902 61 HA LEU 12 HA LEU 12 28.767 -16.057 4.912 62 HB2 LEU 12 1HB LEU 12 29.335 -17.846 2.698 63 HB3 LEU 12 2HB LEU 12 28.018 -16.755 2.317 64 HG LEU 12 HG LEU 12 29.566 -14.865 3.126 65 HD11 LEU 12 1HD1 LEU 12 31.780 -15.203 3.511 66 HD12 LEU 12 2HD1 LEU 12 31.169 -16.782 4.061 67 HD13 LEU 12 3HD1 LEU 12 31.873 -16.617 2.434 68 HD21 LEU 12 1HD2 LEU 12 29.577 -16.373 0.592 69 HD22 LEU 12 2HD2 LEU 12 29.317 -14.641 0.906 70 HD23 LEU 12 3HD2 LEU 12 30.971 -15.293 0.836 71 H ARG 13 H ARG 13 26.743 -14.974 4.393 72 HA ARG 13 HA ARG 13 24.563 -16.511 5.375 73 HB2 ARG 13 1HB ARG 13 24.950 -13.605 4.562 74 HB3 ARG 13 2HB ARG 13 23.344 -14.216 4.906 75 HG2 ARG 13 1HG ARG 13 23.733 -14.350 7.165 76 HG3 ARG 13 2HG ARG 13 25.357 -14.973 6.953 77 HD2 ARG 13 1HD ARG 13 26.120 -12.639 6.316 78 HD3 ARG 13 2HD ARG 13 24.507 -12.050 6.662 79 HE ARG 13 HE ARG 13 25.489 -13.547 8.919 80 HH11 ARG 13 2HH2 ARG 13 25.918 -10.468 7.270 81 HH12 ARG 13 1HH2 ARG 13 26.449 -9.635 8.692 82 HH21 ARG 13 2HH1 ARG 13 26.189 -12.448 10.796 83 HH22 ARG 13 1HH1 ARG 13 26.604 -10.768 10.711 84 H VAL 14 H VAL 14 22.426 -16.642 4.225 85 HA VAL 14 HA VAL 14 22.871 -16.930 1.349 86 HB VAL 14 HB VAL 14 22.060 -18.797 2.956 87 HG11 VAL 14 1HG1 VAL 14 19.350 -17.587 2.394 88 HG12 VAL 14 2HG1 VAL 14 19.781 -18.902 3.514 89 HG13 VAL 14 3HG1 VAL 14 20.242 -17.224 3.891 90 HG21 VAL 14 1HG2 VAL 14 20.496 -18.260 0.410 91 HG22 VAL 14 2HG2 VAL 14 22.152 -18.908 0.467 92 HG23 VAL 14 3HG2 VAL 14 20.808 -19.840 1.168 93 H ARG 15 H ARG 15 21.832 -15.649 -0.124 94 HA ARG 15 HA ARG 15 20.312 -13.497 0.993 95 HB2 ARG 15 1HB ARG 15 21.585 -14.113 -1.676 96 HB3 ARG 15 2HB ARG 15 20.276 -12.949 -1.656 97 HG2 ARG 15 1HG ARG 15 21.565 -11.798 0.299 98 HG3 ARG 15 2HG ARG 15 22.925 -12.801 -0.164 99 HD2 ARG 15 1HD ARG 15 21.700 -11.495 -2.504 100 HD3 ARG 15 2HD ARG 15 22.209 -10.322 -1.305 101 HE ARG 15 HE ARG 15 24.461 -10.924 -1.672 102 HH11 ARG 15 2HH2 ARG 15 22.320 -13.217 -3.267 103 HH12 ARG 15 1HH2 ARG 15 23.593 -13.979 -4.160 104 HH21 ARG 15 2HH1 ARG 15 26.141 -11.929 -2.851 105 HH22 ARG 15 1HH1 ARG 15 25.781 -13.242 -3.922 106 H GLN 16 H GLN 16 18.297 -14.480 1.603 107 HA GLN 16 HA GLN 16 16.884 -15.904 -0.469 108 HB2 GLN 16 1HB GLN 16 16.970 -16.027 2.383 109 HB3 GLN 16 2HB GLN 16 15.344 -15.526 1.963 110 HG2 GLN 16 1HG GLN 16 15.514 -17.999 2.042 111 HG3 GLN 16 2HG GLN 16 15.103 -17.453 0.429 112 HE21 GLN 16 1HE2 GLN 16 17.388 -19.034 2.435 113 HE22 GLN 16 2HE2 GLN 16 18.556 -19.472 1.234 114 H LEU 17 H LEU 17 14.538 -15.342 -0.902 115 HA LEU 17 HA LEU 17 14.355 -12.495 -1.298 116 HB2 LEU 17 1HB LEU 17 12.843 -14.907 -2.227 117 HB3 LEU 17 2HB LEU 17 12.112 -13.320 -2.361 118 HG LEU 17 HG LEU 17 14.709 -14.225 -3.631 119 HD11 LEU 17 1HD1 LEU 17 11.969 -13.615 -4.759 120 HD12 LEU 17 2HD1 LEU 17 13.439 -13.756 -5.752 121 HD13 LEU 17 3HD1 LEU 17 12.864 -15.153 -4.811 122 HD21 LEU 17 1HD2 LEU 17 13.810 -11.567 -2.962 123 HD22 LEU 17 2HD2 LEU 17 15.336 -12.099 -3.708 124 HD23 LEU 17 3HD2 LEU 17 13.917 -11.762 -4.729 125 HA PRO 18 HA PRO 18 11.850 -11.768 2.146 126 HB2 PRO 18 1HB PRO 18 10.747 -9.364 1.455 127 HB3 PRO 18 2HB PRO 18 12.359 -9.522 2.123 128 HG2 PRO 18 1HG PRO 18 11.555 -8.981 -0.669 129 HG3 PRO 18 2HG PRO 18 13.112 -8.726 0.094 130 HD2 PRO 18 1HD PRO 18 12.403 -10.860 -1.686 131 HD3 PRO 18 2HD PRO 18 13.921 -10.668 -0.832 132 H HIS 19 H HIS 19 9.490 -10.891 2.738 133 HA HIS 19 HA HIS 19 7.762 -12.380 0.896 134 HB2 HIS 19 1HB HIS 19 8.031 -12.466 3.859 135 HB3 HIS 19 2HB HIS 19 6.400 -12.533 3.219 136 HD1 HIS 19 1HD HIS 19 5.738 -14.942 3.354 137 HD2 HIS 19 2HD HIS 19 9.614 -14.448 1.828 138 HE1 HIS 19 1HE HIS 19 6.544 -17.268 2.681 139 H ALA 20 H ALA 20 5.476 -11.602 0.829 140 HA ALA 20 HA ALA 20 5.412 -8.821 0.471 141 HB1 ALA 20 1HB ALA 20 2.940 -10.509 0.841 142 HB2 ALA 20 2HB ALA 20 3.250 -9.199 -0.323 143 HB3 ALA 20 3HB ALA 20 4.004 -10.794 -0.556 144 HA PRO 21 HA PRO 21 4.173 -7.383 4.356 145 HB2 PRO 21 1HB PRO 21 2.464 -5.330 3.779 146 HB3 PRO 21 2HB PRO 21 4.207 -5.184 3.676 147 HG2 PRO 21 1HG PRO 21 2.236 -5.436 1.487 148 HG3 PRO 21 2HG PRO 21 3.893 -4.871 1.412 149 HD2 PRO 21 1HD PRO 21 2.916 -7.437 0.584 150 HD3 PRO 21 2HD PRO 21 4.588 -6.914 0.618 151 H GLU 22 H GLU 22 2.862 -7.774 6.090 152 HA GLU 22 HA GLU 22 0.453 -9.166 5.282 153 HB2 GLU 22 1HB GLU 22 2.361 -9.361 7.533 154 HB3 GLU 22 2HB GLU 22 0.687 -9.457 8.044 155 HG2 GLU 22 1HG GLU 22 0.459 -11.148 5.998 156 HG3 GLU 22 2HG GLU 22 2.199 -11.283 6.161 157 H HIS 23 H HIS 23 -1.339 -8.913 7.242 158 HA HIS 23 HA HIS 23 -3.025 -7.520 7.691 159 HB2 HIS 23 1HB HIS 23 -0.858 -7.266 9.477 160 HB3 HIS 23 2HB HIS 23 -1.474 -5.641 9.256 161 HD1 HIS 23 1HD HIS 23 -4.281 -5.521 9.530 162 HD2 HIS 23 2HD HIS 23 -2.217 -8.667 11.384 163 HE1 HIS 23 1HE HIS 23 -5.836 -6.430 11.337 164 HA PRO 24 HA PRO 24 -1.752 -4.238 4.740 165 HB2 PRO 24 1HB PRO 24 -3.002 -5.129 2.479 166 HB3 PRO 24 2HB PRO 24 -1.306 -5.416 2.812 167 HG2 PRO 24 1HG PRO 24 -3.575 -7.302 2.990 168 HG3 PRO 24 2HG PRO 24 -1.860 -7.653 2.901 169 HD2 PRO 24 1HD PRO 24 -3.515 -7.766 5.241 170 HD3 PRO 24 2HD PRO 24 -1.780 -8.003 5.172 171 H VAL 25 H VAL 25 -3.066 -3.117 6.339 172 HA VAL 25 HA VAL 25 -5.869 -3.030 5.539 173 HB VAL 25 HB VAL 25 -4.572 -1.671 7.895 174 HG11 VAL 25 1HG1 VAL 25 -6.883 -1.008 7.244 175 HG12 VAL 25 2HG1 VAL 25 -7.400 -2.695 7.480 176 HG13 VAL 25 3HG1 VAL 25 -6.792 -1.749 8.860 177 HG21 VAL 25 1HG2 VAL 25 -5.129 -3.642 9.252 178 HG22 VAL 25 2HG2 VAL 25 -5.657 -4.506 7.788 179 HG23 VAL 25 3HG2 VAL 25 -3.949 -4.043 7.980 180 H ALA 26 H ALA 26 -6.626 -1.434 4.249 181 HA ALA 26 HA ALA 26 -5.001 1.013 4.099 182 HB1 ALA 26 1HB ALA 26 -5.418 1.109 1.748 183 HB2 ALA 26 2HB ALA 26 -4.907 -0.562 2.088 184 HB3 ALA 26 3HB ALA 26 -6.630 -0.192 1.837 185 H THR 27 H THR 27 -6.115 2.505 5.283 186 HA THR 27 HA THR 27 -9.023 2.633 4.814 187 HB THR 27 HB THR 27 -8.668 3.879 7.216 188 HG1 THR 27 1HG THR 27 -6.916 2.677 8.257 189 HG21 THR 27 1HG2 THR 27 -9.289 1.811 8.322 190 HG22 THR 27 2HG2 THR 27 -10.060 1.759 6.719 191 HG23 THR 27 3HG2 THR 27 -8.572 0.830 7.022 192 H LEU 28 H LEU 28 -9.995 4.661 4.510 193 HA LEU 28 HA LEU 28 -8.373 6.486 3.114 194 HB2 LEU 28 1HB LEU 28 -11.180 6.074 3.714 195 HB3 LEU 28 2HB LEU 28 -10.757 7.773 3.792 196 HG LEU 28 HG LEU 28 -10.232 5.951 1.426 197 HD11 LEU 28 1HD1 LEU 28 -12.648 6.425 1.895 198 HD12 LEU 28 2HD1 LEU 28 -12.295 8.153 1.659 199 HD13 LEU 28 3HD1 LEU 28 -12.064 7.006 0.317 200 HD21 LEU 28 1HD2 LEU 28 -9.411 7.792 0.246 201 HD22 LEU 28 2HD2 LEU 28 -10.053 8.960 1.425 202 HD23 LEU 28 3HD2 LEU 28 -8.659 7.939 1.852 203 H SER 29 H SER 29 -8.473 8.953 3.710 204 HA SER 29 HA SER 29 -7.275 9.096 6.307 205 HB2 SER 29 1HB SER 29 -6.808 11.494 5.596 206 HB3 SER 29 2HB SER 29 -6.111 10.263 4.563 207 HG SER 29 HG SER 29 -7.271 12.102 3.475 208 H THR 30 H THR 30 -8.409 9.642 8.132 209 HA THR 30 HA THR 30 -11.090 10.713 7.809 210 HB THR 30 HB THR 30 -11.205 10.158 10.254 211 HG1 THR 30 1HG THR 30 -9.245 9.719 11.263 212 HG21 THR 30 1HG2 THR 30 -11.705 8.154 9.116 213 HG22 THR 30 2HG2 THR 30 -10.132 8.121 8.286 214 HG23 THR 30 3HG2 THR 30 -10.240 7.671 10.005 215 H VAL 31 H VAL 31 -8.360 12.226 7.390 216 HA VAL 31 HA VAL 31 -9.293 14.571 8.861 217 HB VAL 31 HB VAL 31 -7.068 15.128 9.568 218 HG11 VAL 31 1HG1 VAL 31 -8.564 13.470 10.882 219 HG12 VAL 31 2HG1 VAL 31 -7.382 12.238 10.378 220 HG13 VAL 31 3HG1 VAL 31 -6.855 13.631 11.353 221 HG21 VAL 31 1HG2 VAL 31 -5.202 13.444 9.300 222 HG22 VAL 31 2HG2 VAL 31 -6.231 12.601 8.118 223 HG23 VAL 31 3HG2 VAL 31 -5.702 14.271 7.806 224 H GLU 32 H GLU 32 -6.946 13.261 6.419 225 HA GLU 32 HA GLU 32 -7.044 15.767 5.036 226 HB2 GLU 32 1HB GLU 32 -5.257 13.507 5.172 227 HB3 GLU 32 2HB GLU 32 -5.715 13.733 3.495 228 HG2 GLU 32 1HG GLU 32 -4.565 15.876 5.345 229 HG3 GLU 32 2HG GLU 32 -3.713 15.082 4.036 230 H ARG 33 H ARG 33 -7.502 15.805 2.611 231 HA ARG 33 HA ARG 33 -9.846 14.163 2.168 232 HB2 ARG 33 1HB ARG 33 -8.926 16.871 1.218 233 HB3 ARG 33 2HB ARG 33 -9.947 15.955 0.127 234 HG2 ARG 33 1HG ARG 33 -10.661 16.486 3.048 235 HG3 ARG 33 2HG ARG 33 -11.196 17.502 1.724 236 HD2 ARG 33 1HD ARG 33 -12.447 15.670 0.712 237 HD3 ARG 33 2HD ARG 33 -11.732 14.498 1.800 238 HE ARG 33 HE ARG 33 -13.180 16.667 3.161 239 HH11 ARG 33 2HH2 ARG 33 -13.407 13.450 1.753 240 HH12 ARG 33 1HH2 ARG 33 -14.820 13.016 2.656 241 HH21 ARG 33 2HH1 ARG 33 -15.044 16.094 4.352 242 HH22 ARG 33 1HH1 ARG 33 -15.758 14.530 4.144 243 H ARG 34 H ARG 34 -10.043 12.831 0.297 244 HA ARG 34 HA ARG 34 -9.330 11.485 -1.241 245 HB2 ARG 34 1HB ARG 34 -7.598 13.772 -2.291 246 HB3 ARG 34 2HB ARG 34 -8.304 12.468 -3.225 247 HG2 ARG 34 1HG ARG 34 -10.611 13.369 -2.373 248 HG3 ARG 34 2HG ARG 34 -9.729 14.810 -1.909 249 HD2 ARG 34 1HD ARG 34 -9.369 13.726 -4.713 250 HD3 ARG 34 2HD ARG 34 -10.831 14.615 -4.333 251 HE ARG 34 HE ARG 34 -8.737 16.188 -3.322 252 HH11 ARG 34 2HH2 ARG 34 -9.674 14.917 -6.467 253 HH12 ARG 34 1HH2 ARG 34 -8.957 16.224 -7.350 254 HH21 ARG 34 2HH1 ARG 34 -7.792 17.912 -4.487 255 HH22 ARG 34 1HH1 ARG 34 -7.880 17.938 -6.217 256 H ALA 35 H ALA 35 -7.926 11.062 1.091 257 HA ALA 35 HA ALA 35 -5.317 10.277 0.060 258 HB1 ALA 35 1HB ALA 35 -4.084 11.344 1.725 259 HB2 ALA 35 2HB ALA 35 -5.333 12.563 1.375 260 HB3 ALA 35 3HB ALA 35 -5.489 11.513 2.804 261 H ILE 36 H ILE 36 -4.842 8.198 0.634 262 HA ILE 36 HA ILE 36 -6.571 7.025 2.699 263 HB ILE 36 HB ILE 36 -5.374 5.870 0.188 264 HG12 ILE 36 1HG1 ILE 36 -8.247 5.999 1.146 265 HG13 ILE 36 2HG1 ILE 36 -7.521 7.153 0.046 266 HG21 ILE 36 1HG2 ILE 36 -6.851 3.836 1.254 267 HG22 ILE 36 2HG2 ILE 36 -5.079 3.976 1.350 268 HG23 ILE 36 3HG2 ILE 36 -6.090 4.527 2.707 269 HD11 ILE 36 1HD1 ILE 36 -6.852 5.069 -1.388 270 HD12 ILE 36 2HD1 ILE 36 -8.056 4.202 -0.405 271 HD13 ILE 36 3HD1 ILE 36 -8.554 5.590 -1.401 272 H ASN 37 H ASN 37 -5.642 5.957 4.425 273 HA ASN 37 HA ASN 37 -2.795 6.350 4.638 274 HB2 ASN 37 1HB ASN 37 -5.043 6.339 6.464 275 HB3 ASN 37 2HB ASN 37 -3.935 5.084 6.981 276 HD21 ASN 37 1HD2 ASN 37 -4.648 8.358 6.999 277 HD22 ASN 37 2HD2 ASN 37 -3.165 8.995 7.626 278 H LEU 38 H LEU 38 -1.653 4.622 3.701 279 HA LEU 38 HA LEU 38 -2.771 1.960 3.851 280 HB2 LEU 38 1HB LEU 38 -1.364 3.293 1.948 281 HB3 LEU 38 2HB LEU 38 -0.077 2.393 2.726 282 HG LEU 38 HG LEU 38 -1.270 1.361 0.688 283 HD11 LEU 38 1HD1 LEU 38 0.352 0.196 2.148 284 HD12 LEU 38 2HD1 LEU 38 -0.992 -0.319 3.194 285 HD13 LEU 38 3HD1 LEU 38 -0.910 -0.883 1.508 286 HD21 LEU 38 1HD2 LEU 38 -3.566 1.852 1.750 287 HD22 LEU 38 2HD2 LEU 38 -3.322 0.286 0.940 288 HD23 LEU 38 3HD2 LEU 38 -3.271 0.387 2.717 289 H THR 39 H THR 39 -2.242 0.441 5.341 290 HA THR 39 HA THR 39 0.272 0.773 6.797 291 HB THR 39 HB THR 39 -0.887 0.598 8.948 292 HG1 THR 39 1HG THR 39 -3.027 -0.084 8.918 293 HG21 THR 39 1HG2 THR 39 -2.084 2.657 9.040 294 HG22 THR 39 2HG2 THR 39 -0.990 2.898 7.656 295 HG23 THR 39 3HG2 THR 39 -2.696 2.474 7.378 296 H TRP 40 H TRP 40 1.384 -1.078 6.946 297 HA TRP 40 HA TRP 40 -0.146 -3.569 6.799 298 HB2 TRP 40 1HB TRP 40 1.448 -4.506 5.213 299 HB3 TRP 40 2HB TRP 40 0.557 -3.158 4.536 300 HD1 TRP 40 HD TRP 40 4.114 -4.222 5.402 301 HE1 TRP 40 1HE TRP 40 5.899 -2.479 4.541 302 HE3 TRP 40 3HE TRP 40 0.757 -0.620 4.133 303 HZ2 TRP 40 2HZ TRP 40 5.710 0.152 3.451 304 HZ3 TRP 40 3HZ TRP 40 1.640 1.506 3.178 305 HH2 TRP 40 HH TRP 40 4.024 1.922 2.831 306 H THR 41 H THR 41 1.822 -5.406 7.099 307 HA THR 41 HA THR 41 3.222 -4.490 9.523 308 HB THR 41 HB THR 41 1.897 -7.095 8.677 309 HG1 THR 41 1HG THR 41 0.785 -5.421 9.949 310 HG21 THR 41 1HG2 THR 41 3.980 -7.935 9.571 311 HG22 THR 41 2HG2 THR 41 4.052 -6.645 10.795 312 HG23 THR 41 3HG2 THR 41 2.842 -7.943 10.939 313 H LYS 42 H LYS 42 5.355 -5.385 9.961 314 HA LYS 42 HA LYS 42 6.902 -5.377 7.543 315 HB2 LYS 42 1HB LYS 42 7.383 -4.316 9.921 316 HB3 LYS 42 2HB LYS 42 8.067 -5.894 10.257 317 HG2 LYS 42 1HG LYS 42 8.868 -4.766 7.623 318 HG3 LYS 42 2HG LYS 42 9.407 -3.820 8.996 319 HD2 LYS 42 1HD LYS 42 10.256 -6.056 10.008 320 HD3 LYS 42 2HD LYS 42 9.986 -6.755 8.424 321 HE2 LYS 42 1HE LYS 42 12.264 -6.092 8.351 322 HE3 LYS 42 2HE LYS 42 11.439 -4.803 7.497 323 HZ1 LYS 42 1HZ LYS 42 11.775 -3.374 9.192 324 HZ2 LYS 42 2HZ LYS 42 11.745 -4.514 10.360 325 HZ3 LYS 42 3HZ LYS 42 13.081 -4.322 9.441 326 HA PRO 43 HA PRO 43 6.699 -9.745 7.315 327 HB2 PRO 43 1HB PRO 43 7.765 -9.987 4.811 328 HB3 PRO 43 2HB PRO 43 6.059 -9.713 5.104 329 HG2 PRO 43 1HG PRO 43 8.104 -7.806 4.147 330 HG3 PRO 43 2HG PRO 43 6.359 -7.687 4.044 331 HD2 PRO 43 1HD PRO 43 8.067 -6.298 5.882 332 HD3 PRO 43 2HD PRO 43 6.316 -6.269 5.853 333 H PHE 44 H PHE 44 8.277 -11.598 6.661 334 HA PHE 44 HA PHE 44 10.633 -10.999 8.202 335 HB2 PHE 44 1HB PHE 44 9.374 -13.128 8.478 336 HB3 PHE 44 2HB PHE 44 9.466 -13.450 6.758 337 HD1 PHE 44 1HD PHE 44 11.885 -13.697 5.781 338 HD2 PHE 44 2HD PHE 44 10.930 -14.099 9.896 339 HE1 PHE 44 1HE PHE 44 13.989 -15.017 6.140 340 HE2 PHE 44 2HE PHE 44 13.035 -15.419 10.255 341 HZ PHE 44 HZ PHE 44 14.539 -15.862 8.373 342 H ASP 45 H ASP 45 12.650 -10.566 7.413 343 HA ASP 45 HA ASP 45 12.900 -10.316 4.594 344 HB2 ASP 45 1HB ASP 45 15.147 -9.424 5.124 345 HB3 ASP 45 2HB ASP 45 13.923 -8.670 6.126 346 H GLY 46 H GLY 46 13.917 -11.816 3.219 347 HA2 GLY 46 1HA GLY 46 14.326 -14.423 3.829 348 HA3 GLY 46 2HA GLY 46 15.168 -13.573 2.550 349 H ASN 47 H ASN 47 16.771 -11.749 4.018 350 HA ASN 47 HA ASN 47 18.070 -12.904 6.162 351 HB2 ASN 47 1HB ASN 47 18.813 -14.083 3.649 352 HB3 ASN 47 2HB ASN 47 20.151 -13.054 4.121 353 HD21 ASN 47 1HD2 ASN 47 21.341 -15.022 4.334 354 HD22 ASN 47 2HD2 ASN 47 21.248 -15.971 5.780 355 H SER 48 H SER 48 18.216 -10.968 3.135 356 HA SER 48 HA SER 48 20.105 -9.159 4.353 357 HB2 SER 48 1HB SER 48 19.664 -10.023 1.723 358 HB3 SER 48 2HB SER 48 19.018 -8.394 1.722 359 HG SER 48 HG SER 48 21.404 -8.419 3.078 360 HA PRO 49 HA PRO 49 17.079 -6.172 5.279 361 HB2 PRO 49 1HB PRO 49 18.381 -3.799 4.902 362 HB3 PRO 49 2HB PRO 49 18.599 -4.797 6.327 363 HG2 PRO 49 1HG PRO 49 20.420 -4.426 4.028 364 HG3 PRO 49 2HG PRO 49 20.780 -5.058 5.622 365 HD2 PRO 49 1HD PRO 49 20.451 -6.575 3.210 366 HD3 PRO 49 2HD PRO 49 20.695 -7.212 4.824 367 H LEU 50 H LEU 50 15.436 -4.742 4.577 368 HA LEU 50 HA LEU 50 14.982 -5.060 1.792 369 HB2 LEU 50 1HB LEU 50 13.500 -3.328 3.771 370 HB3 LEU 50 2HB LEU 50 12.923 -3.884 2.212 371 HG LEU 50 HG LEU 50 13.614 -5.757 4.488 372 HD11 LEU 50 1HD1 LEU 50 11.655 -5.401 5.480 373 HD12 LEU 50 2HD1 LEU 50 11.511 -3.936 4.479 374 HD13 LEU 50 3HD1 LEU 50 10.774 -5.461 3.934 375 HD21 LEU 50 1HD2 LEU 50 12.666 -6.097 1.716 376 HD22 LEU 50 2HD2 LEU 50 13.537 -7.221 2.787 377 HD23 LEU 50 3HD2 LEU 50 11.774 -7.032 2.941 378 H ILE 51 H ILE 51 15.129 -3.566 0.112 379 HA ILE 51 HA ILE 51 16.779 -1.245 0.760 380 HB ILE 51 HB ILE 51 16.446 -3.035 -1.570 381 HG12 ILE 51 1HG1 ILE 51 18.763 -1.529 -0.326 382 HG13 ILE 51 2HG1 ILE 51 18.390 -3.231 -0.139 383 HG21 ILE 51 1HG2 ILE 51 17.537 -1.174 -3.000 384 HG22 ILE 51 2HG2 ILE 51 15.772 -1.168 -2.776 385 HG23 ILE 51 3HG2 ILE 51 16.793 -0.058 -1.830 386 HD11 ILE 51 1HD1 ILE 51 18.536 -3.304 -2.774 387 HD12 ILE 51 2HD1 ILE 51 19.430 -1.777 -2.581 388 HD13 ILE 51 3HD1 ILE 51 20.037 -3.266 -1.818 389 H ARG 52 H ARG 52 13.861 -2.174 -1.192 390 HA ARG 52 HA ARG 52 12.690 0.316 -0.400 391 HB2 ARG 52 1HB ARG 52 12.297 1.173 -2.616 392 HB3 ARG 52 2HB ARG 52 13.995 0.739 -2.578 393 HG2 ARG 52 1HG ARG 52 13.461 -1.451 -3.663 394 HG3 ARG 52 2HG ARG 52 11.762 -1.025 -3.694 395 HD2 ARG 52 1HD ARG 52 12.344 -0.317 -5.828 396 HD3 ARG 52 2HD ARG 52 12.682 1.165 -4.956 397 HE ARG 52 HE ARG 52 15.051 -0.351 -4.814 398 HH11 ARG 52 2HH2 ARG 52 13.054 1.060 -7.345 399 HH12 ARG 52 1HH2 ARG 52 14.376 1.281 -8.442 400 HH21 ARG 52 2HH1 ARG 52 16.795 -0.060 -6.261 401 HH22 ARG 52 1HH1 ARG 52 16.518 0.639 -7.821 402 H TYR 53 H TYR 53 10.310 0.412 -1.335 403 HA TYR 53 HA TYR 53 9.293 -2.333 -1.621 404 HB2 TYR 53 1HB TYR 53 8.774 -0.075 0.294 405 HB3 TYR 53 2HB TYR 53 7.310 -0.769 -0.374 406 HD1 TYR 53 1HD TYR 53 10.524 -2.447 0.576 407 HD2 TYR 53 2HD TYR 53 6.343 -1.995 1.365 408 HE1 TYR 53 1HE TYR 53 10.634 -4.331 2.279 409 HE2 TYR 53 2HE TYR 53 6.468 -3.881 3.065 410 HH TYR 53 HH TYR 53 8.108 -5.976 3.311 411 H ILE 54 H ILE 54 7.953 -2.642 -3.341 412 HA ILE 54 HA ILE 54 7.222 -0.256 -4.848 413 HB ILE 54 HB ILE 54 7.239 -3.188 -5.571 414 HG12 ILE 54 1HG1 ILE 54 9.075 -0.906 -6.356 415 HG13 ILE 54 2HG1 ILE 54 9.477 -2.246 -5.299 416 HG21 ILE 54 1HG2 ILE 54 5.463 -2.125 -6.791 417 HG22 ILE 54 2HG2 ILE 54 6.516 -0.759 -7.229 418 HG23 ILE 54 3HG2 ILE 54 6.839 -2.379 -7.891 419 HD11 ILE 54 1HD1 ILE 54 10.214 -3.293 -7.181 420 HD12 ILE 54 2HD1 ILE 54 8.494 -3.550 -7.559 421 HD13 ILE 54 3HD1 ILE 54 9.357 -2.153 -8.246 422 H LEU 55 H LEU 55 5.179 0.535 -4.885 423 HA LEU 55 HA LEU 55 3.099 -1.216 -3.769 424 HB2 LEU 55 1HB LEU 55 3.503 0.479 -2.190 425 HB3 LEU 55 2HB LEU 55 3.616 1.725 -3.417 426 HG LEU 55 HG LEU 55 1.517 1.673 -1.968 427 HD11 LEU 55 1HD1 LEU 55 1.943 2.718 -4.374 428 HD12 LEU 55 2HD1 LEU 55 0.680 1.549 -4.828 429 HD13 LEU 55 3HD1 LEU 55 0.349 2.777 -3.583 430 HD21 LEU 55 1HD2 LEU 55 -0.297 0.159 -2.919 431 HD22 LEU 55 2HD2 LEU 55 1.022 -0.777 -3.662 432 HD23 LEU 55 3HD2 LEU 55 0.939 -0.608 -1.892 433 H GLU 56 H GLU 56 1.643 -1.864 -5.251 434 HA GLU 56 HA GLU 56 1.351 -0.149 -7.588 435 HB2 GLU 56 1HB GLU 56 1.397 -3.099 -7.183 436 HB3 GLU 56 2HB GLU 56 0.179 -2.533 -8.308 437 HG2 GLU 56 1HG GLU 56 2.176 -2.945 -9.601 438 HG3 GLU 56 2HG GLU 56 1.993 -1.205 -9.503 439 H MET 57 H MET 57 -0.557 0.935 -7.845 440 HA MET 57 HA MET 57 -2.734 0.096 -6.110 441 HB2 MET 57 1HB MET 57 -1.900 2.454 -5.904 442 HB3 MET 57 2HB MET 57 -2.194 2.719 -7.611 443 HG2 MET 57 1HG MET 57 -4.662 2.148 -7.170 444 HG3 MET 57 2HG MET 57 -4.288 2.169 -5.458 445 HE1 MET 57 1HE MET 57 -3.470 3.968 -8.667 446 HE2 MET 57 2HE MET 57 -5.145 4.562 -8.564 447 HE3 MET 57 3HE MET 57 -3.785 5.691 -8.352 448 H SER 58 H SER 58 -4.890 -0.165 -6.931 449 HA SER 58 HA SER 58 -4.987 -0.295 -9.844 450 HB2 SER 58 1HB SER 58 -5.031 -2.565 -9.332 451 HB3 SER 58 2HB SER 58 -5.783 -2.315 -7.769 452 HG SER 58 HG SER 58 -7.263 -1.705 -10.150 453 H GLU 59 H GLU 59 -6.432 1.204 -10.601 454 HA GLU 59 HA GLU 59 -8.409 2.199 -8.769 455 HB2 GLU 59 1HB GLU 59 -7.002 3.701 -10.247 456 HB3 GLU 59 2HB GLU 59 -7.838 3.048 -11.642 457 HG2 GLU 59 1HG GLU 59 -9.921 3.766 -9.880 458 HG3 GLU 59 2HG GLU 59 -8.751 5.058 -9.697 459 H ASN 60 H ASN 60 -10.018 0.614 -8.546 460 HA ASN 60 HA ASN 60 -11.816 -0.490 -9.042 461 HB2 ASN 60 1HB ASN 60 -11.695 1.381 -11.419 462 HB3 ASN 60 2HB ASN 60 -12.847 0.062 -11.478 463 HD21 ASN 60 1HD2 ASN 60 -12.581 3.186 -10.800 464 HD22 ASN 60 2HD2 ASN 60 -13.785 3.407 -9.575 465 H ASN 61 H ASN 61 -11.255 -0.286 -12.550 466 HA ASN 61 HA ASN 61 -10.431 -3.075 -12.480 467 HB2 ASN 61 1HB ASN 61 -12.440 -1.707 -13.973 468 HB3 ASN 61 2HB ASN 61 -11.172 -2.053 -15.133 469 HD21 ASN 61 1HD2 ASN 61 -10.497 -4.194 -15.485 470 HD22 ASN 61 2HD2 ASN 61 -11.511 -5.552 -15.127 471 H ALA 62 H ALA 62 -8.870 -0.342 -12.291 472 HA ALA 62 HA ALA 62 -7.405 -0.185 -14.735 473 HB1 ALA 62 1HB ALA 62 -7.315 1.858 -13.738 474 HB2 ALA 62 2HB ALA 62 -7.525 1.183 -12.105 475 HB3 ALA 62 3HB ALA 62 -5.920 1.167 -12.874 476 HA PRO 63 HA PRO 63 -4.397 -3.163 -13.841 477 HB2 PRO 63 1HB PRO 63 -2.323 -2.313 -15.406 478 HB3 PRO 63 2HB PRO 63 -3.690 -3.212 -16.032 479 HG2 PRO 63 1HG PRO 63 -3.088 -0.330 -16.300 480 HG3 PRO 63 2HG PRO 63 -4.185 -1.315 -17.247 481 HD2 PRO 63 1HD PRO 63 -4.896 0.547 -15.184 482 HD3 PRO 63 2HD PRO 63 -5.981 -0.522 -16.051 483 H TRP 64 H TRP 64 -2.762 -3.744 -12.447 484 HA TRP 64 HA TRP 64 -2.238 -2.114 -10.371 485 HB2 TRP 64 1HB TRP 64 -0.393 -4.176 -11.588 486 HB3 TRP 64 2HB TRP 64 -0.200 -3.478 -9.992 487 HD1 TRP 64 HD TRP 64 -1.594 -6.485 -11.493 488 HE1 TRP 64 1HE TRP 64 -3.349 -7.751 -9.983 489 HE3 TRP 64 3HE TRP 64 -2.380 -2.635 -8.265 490 HZ2 TRP 64 2HZ TRP 64 -4.836 -7.017 -7.660 491 HZ3 TRP 64 3HZ TRP 64 -3.999 -2.993 -6.404 492 HH2 TRP 64 HH TRP 64 -5.207 -5.092 -6.074 493 H THR 65 H THR 65 -1.577 0.000 -10.465 494 HA THR 65 HA THR 65 0.612 0.625 -12.334 495 HB THR 65 HB THR 65 -1.816 1.689 -12.479 496 HG1 THR 65 1HG THR 65 0.306 2.343 -13.500 497 HG21 THR 65 1HG2 THR 65 -1.619 2.379 -9.936 498 HG22 THR 65 2HG2 THR 65 -0.511 3.635 -10.539 499 HG23 THR 65 3HG2 THR 65 -2.200 3.594 -11.100 500 H VAL 66 H VAL 66 2.513 0.471 -11.294 501 HA VAL 66 HA VAL 66 2.851 0.696 -8.565 502 HB VAL 66 HB VAL 66 4.543 -0.343 -9.746 503 HG11 VAL 66 1HG1 VAL 66 4.464 0.130 -11.965 504 HG12 VAL 66 2HG1 VAL 66 4.159 1.863 -11.699 505 HG13 VAL 66 3HG1 VAL 66 5.812 1.218 -11.553 506 HG21 VAL 66 1HG2 VAL 66 6.312 0.577 -8.716 507 HG22 VAL 66 2HG2 VAL 66 6.169 2.095 -9.636 508 HG23 VAL 66 3HG2 VAL 66 5.184 1.843 -8.175 509 H LEU 67 H LEU 67 2.019 2.424 -7.449 510 HA LEU 67 HA LEU 67 2.273 5.071 -8.542 511 HB2 LEU 67 1HB LEU 67 0.914 3.782 -6.233 512 HB3 LEU 67 2HB LEU 67 1.313 5.482 -6.082 513 HG LEU 67 HG LEU 67 -0.491 4.169 -8.120 514 HD11 LEU 67 1HD1 LEU 67 -2.138 5.807 -7.216 515 HD12 LEU 67 2HD1 LEU 67 -1.572 4.613 -6.024 516 HD13 LEU 67 3HD1 LEU 67 -0.936 6.275 -5.989 517 HD21 LEU 67 1HD2 LEU 67 0.398 5.659 -9.576 518 HD22 LEU 67 2HD2 LEU 67 -0.744 6.757 -8.764 519 HD23 LEU 67 3HD2 LEU 67 0.972 6.750 -8.291 520 H LEU 68 H LEU 68 3.554 3.230 -5.692 521 HA LEU 68 HA LEU 68 5.641 5.290 -5.510 522 HB2 LEU 68 1HB LEU 68 3.938 4.020 -3.535 523 HB3 LEU 68 2HB LEU 68 5.633 3.794 -3.152 524 HG LEU 68 HG LEU 68 4.518 6.522 -3.805 525 HD11 LEU 68 1HD1 LEU 68 3.141 6.096 -2.025 526 HD12 LEU 68 2HD1 LEU 68 4.281 4.959 -1.265 527 HD13 LEU 68 3HD1 LEU 68 4.581 6.712 -1.178 528 HD21 LEU 68 1HD2 LEU 68 7.025 6.002 -3.783 529 HD22 LEU 68 2HD2 LEU 68 6.458 7.381 -2.811 530 HD23 LEU 68 3HD2 LEU 68 6.850 5.836 -2.020 531 H ALA 69 H ALA 69 7.466 4.635 -6.512 532 HA ALA 69 HA ALA 69 7.986 1.798 -6.745 533 HB1 ALA 69 1HB ALA 69 8.842 2.521 -8.691 534 HB2 ALA 69 2HB ALA 69 8.602 4.214 -8.198 535 HB3 ALA 69 3HB ALA 69 10.116 3.373 -7.788 536 H SER 70 H SER 70 9.821 4.731 -5.609 537 HA SER 70 HA SER 70 11.498 2.965 -4.079 538 HB2 SER 70 1HB SER 70 12.895 4.570 -4.947 539 HB3 SER 70 2HB SER 70 11.625 5.773 -5.057 540 HG SER 70 HG SER 70 13.229 5.054 -2.777 541 H VAL 71 H VAL 71 10.509 2.260 -2.193 542 HA VAL 71 HA VAL 71 9.291 4.354 -0.527 543 HB VAL 71 HB VAL 71 8.547 1.455 -0.923 544 HG11 VAL 71 1HG1 VAL 71 7.396 3.379 1.124 545 HG12 VAL 71 2HG1 VAL 71 6.907 1.690 0.846 546 HG13 VAL 71 3HG1 VAL 71 8.525 2.054 1.493 547 HG21 VAL 71 1HG2 VAL 71 6.429 3.468 -1.012 548 HG22 VAL 71 2HG2 VAL 71 7.697 3.758 -2.227 549 HG23 VAL 71 3HG2 VAL 71 6.848 2.194 -2.182 550 H ASP 72 H ASP 72 9.611 4.118 1.804 551 HA ASP 72 HA ASP 72 12.249 3.438 2.374 552 HB2 ASP 72 1HB ASP 72 10.114 4.807 3.632 553 HB3 ASP 72 2HB ASP 72 10.480 3.485 4.722 554 HA PRO 73 HA PRO 73 11.533 -0.816 3.267 555 HB2 PRO 73 1HB PRO 73 14.006 -1.471 4.228 556 HB3 PRO 73 2HB PRO 73 13.628 -1.409 2.518 557 HG2 PRO 73 1HG PRO 73 15.169 0.518 4.147 558 HG3 PRO 73 2HG PRO 73 15.138 0.332 2.405 559 HD2 PRO 73 1HD PRO 73 13.820 2.367 3.937 560 HD3 PRO 73 2HD PRO 73 13.695 2.111 2.208 561 H LYS 74 H LYS 74 12.223 1.563 5.554 562 HA LYS 74 HA LYS 74 11.670 -0.328 7.717 563 HB2 LYS 74 1HB LYS 74 12.622 2.535 7.954 564 HB3 LYS 74 2HB LYS 74 12.598 1.308 9.203 565 HG2 LYS 74 1HG LYS 74 14.090 -0.020 7.361 566 HG3 LYS 74 2HG LYS 74 14.478 1.619 6.879 567 HD2 LYS 74 1HD LYS 74 14.811 0.447 9.680 568 HD3 LYS 74 2HD LYS 74 16.105 0.804 8.554 569 HE2 LYS 74 1HE LYS 74 15.965 3.104 8.890 570 HE3 LYS 74 2HE LYS 74 14.240 3.068 9.201 571 HZ1 LYS 74 1HZ LYS 74 15.551 3.500 11.182 572 HZ2 LYS 74 2HZ LYS 74 14.672 2.133 11.343 573 HZ3 LYS 74 3HZ LYS 74 16.277 2.043 11.054 574 H ALA 75 H ALA 75 9.895 1.246 5.536 575 HA ALA 75 HA ALA 75 8.049 2.444 7.463 576 HB1 ALA 75 1HB ALA 75 8.617 3.902 5.641 577 HB2 ALA 75 2HB ALA 75 8.346 2.613 4.443 578 HB3 ALA 75 3HB ALA 75 6.968 3.307 5.330 579 H THR 76 H THR 76 5.905 1.705 7.683 580 HA THR 76 HA THR 76 5.327 -0.817 6.275 581 HB THR 76 HB THR 76 4.085 -1.282 8.576 582 HG1 THR 76 1HG THR 76 4.538 0.894 9.379 583 HG21 THR 76 1HG2 THR 76 6.765 -1.835 7.663 584 HG22 THR 76 2HG2 THR 76 6.862 -1.393 9.384 585 HG23 THR 76 3HG2 THR 76 5.818 -2.739 8.869 586 H SER 77 H SER 77 4.588 2.369 6.389 587 HA SER 77 HA SER 77 1.911 1.775 5.506 588 HB2 SER 77 1HB SER 77 1.163 3.908 6.856 589 HB3 SER 77 2HB SER 77 1.243 2.357 7.666 590 HG SER 77 HG SER 77 3.411 4.277 7.663 591 H VAL 78 H VAL 78 0.981 3.618 4.221 592 HA VAL 78 HA VAL 78 2.787 5.770 3.582 593 HB VAL 78 HB VAL 78 3.496 3.748 2.223 594 HG11 VAL 78 1HG1 VAL 78 2.031 3.513 0.091 595 HG12 VAL 78 2HG1 VAL 78 1.526 2.672 1.577 596 HG13 VAL 78 3HG1 VAL 78 0.732 4.192 1.101 597 HG21 VAL 78 1HG2 VAL 78 4.382 5.241 0.815 598 HG22 VAL 78 2HG2 VAL 78 2.789 5.641 0.127 599 HG23 VAL 78 3HG2 VAL 78 3.358 6.470 1.596 600 H THR 79 H THR 79 1.709 7.416 2.215 601 HA THR 79 HA THR 79 -1.220 7.162 2.426 602 HB THR 79 HB THR 79 0.584 9.634 2.601 603 HG1 THR 79 1HG THR 79 0.515 7.956 4.394 604 HG21 THR 79 1HG2 THR 79 -2.124 9.551 1.929 605 HG22 THR 79 2HG2 THR 79 -2.172 9.674 3.704 606 HG23 THR 79 3HG2 THR 79 -1.323 10.913 2.749 607 H VAL 80 H VAL 80 -2.478 7.481 0.657 608 HA VAL 80 HA VAL 80 -1.008 8.148 -1.800 609 HB VAL 80 HB VAL 80 -3.503 6.468 -1.518 610 HG11 VAL 80 1HG1 VAL 80 -2.889 5.735 -3.826 611 HG12 VAL 80 2HG1 VAL 80 -3.304 7.462 -3.710 612 HG13 VAL 80 3HG1 VAL 80 -1.600 6.962 -3.831 613 HG21 VAL 80 1HG2 VAL 80 -0.720 5.785 -1.007 614 HG22 VAL 80 2HG2 VAL 80 -2.197 4.830 -0.737 615 HG23 VAL 80 3HG2 VAL 80 -1.404 4.810 -2.331 616 H LYS 81 H LYS 81 -1.379 10.265 -2.259 617 HA LYS 81 HA LYS 81 -4.117 11.232 -1.824 618 HB2 LYS 81 1HB LYS 81 -1.467 12.700 -1.827 619 HB3 LYS 81 2HB LYS 81 -3.022 13.507 -1.833 620 HG2 LYS 81 1HG LYS 81 -3.609 12.677 0.322 621 HG3 LYS 81 2HG LYS 81 -2.431 11.381 0.250 622 HD2 LYS 81 1HD LYS 81 -1.413 14.218 0.115 623 HD3 LYS 81 2HD LYS 81 -1.979 13.626 1.664 624 HE2 LYS 81 1HE LYS 81 -0.427 11.497 0.864 625 HE3 LYS 81 2HE LYS 81 0.428 12.816 0.089 626 HZ1 LYS 81 1HZ LYS 81 0.178 12.217 2.865 627 HZ2 LYS 81 2HZ LYS 81 1.335 13.064 2.082 628 HZ3 LYS 81 3HZ LYS 81 -0.055 13.797 2.524 629 H GLY 82 H GLY 82 -5.105 12.528 -3.492 630 HA2 GLY 82 1HA GLY 82 -5.054 13.496 -5.647 631 HA3 GLY 82 2HA GLY 82 -3.767 12.401 -6.113 632 H LEU 83 H LEU 83 -6.129 10.801 -4.180 633 HA LEU 83 HA LEU 83 -6.909 9.157 -6.336 634 HB2 LEU 83 1HB LEU 83 -7.291 9.309 -3.442 635 HB3 LEU 83 2HB LEU 83 -8.699 8.696 -4.286 636 HG LEU 83 HG LEU 83 -7.584 6.811 -5.081 637 HD11 LEU 83 1HD1 LEU 83 -5.660 7.361 -6.141 638 HD12 LEU 83 2HD1 LEU 83 -5.148 8.499 -4.871 639 HD13 LEU 83 3HD1 LEU 83 -4.943 6.747 -4.632 640 HD21 LEU 83 1HD2 LEU 83 -5.912 6.541 -2.789 641 HD22 LEU 83 2HD2 LEU 83 -7.363 7.456 -2.316 642 HD23 LEU 83 3HD2 LEU 83 -7.529 5.858 -3.082 643 H VAL 84 H VAL 84 -9.158 8.809 -7.098 644 HA VAL 84 HA VAL 84 -10.414 11.398 -7.509 645 HB VAL 84 HB VAL 84 -10.797 8.678 -8.773 646 HG11 VAL 84 1HG1 VAL 84 -11.992 11.264 -9.784 647 HG12 VAL 84 2HG1 VAL 84 -12.384 9.591 -10.251 648 HG13 VAL 84 3HG1 VAL 84 -12.865 10.204 -8.651 649 HG21 VAL 84 1HG2 VAL 84 -8.663 9.808 -9.314 650 HG22 VAL 84 2HG2 VAL 84 -9.732 9.668 -10.730 651 HG23 VAL 84 3HG2 VAL 84 -9.573 11.227 -9.885 652 HA PRO 85 HA PRO 85 -13.574 10.504 -4.690 653 HB2 PRO 85 1HB PRO 85 -15.423 12.370 -5.443 654 HB3 PRO 85 2HB PRO 85 -14.051 12.740 -4.418 655 HG2 PRO 85 1HG PRO 85 -14.461 13.388 -7.274 656 HG3 PRO 85 2HG PRO 85 -13.328 14.095 -6.139 657 HD2 PRO 85 1HD PRO 85 -12.732 12.185 -8.194 658 HD3 PRO 85 2HD PRO 85 -11.624 12.805 -6.986 659 H ALA 86 H ALA 86 -15.384 9.251 -4.344 660 HA ALA 86 HA ALA 86 -16.949 7.795 -4.911 661 HB1 ALA 86 1HB ALA 86 -17.386 10.108 -6.578 662 HB2 ALA 86 2HB ALA 86 -17.812 8.640 -7.490 663 HB3 ALA 86 3HB ALA 86 -18.579 8.965 -5.917 664 H ARG 87 H ARG 87 -14.362 6.955 -5.342 665 HA ARG 87 HA ARG 87 -14.807 5.190 -7.562 666 HB2 ARG 87 1HB ARG 87 -12.529 7.180 -7.388 667 HB3 ARG 87 2HB ARG 87 -12.225 5.623 -8.132 668 HG2 ARG 87 1HG ARG 87 -14.502 6.196 -9.448 669 HG3 ARG 87 2HG ARG 87 -14.053 7.842 -9.048 670 HD2 ARG 87 1HD ARG 87 -11.804 7.482 -10.097 671 HD3 ARG 87 2HD ARG 87 -12.254 5.836 -10.497 672 HE ARG 87 HE ARG 87 -14.295 7.422 -11.584 673 HH11 ARG 87 2HH2 ARG 87 -10.804 7.184 -11.955 674 HH12 ARG 87 1HH2 ARG 87 -10.813 7.731 -13.598 675 HH21 ARG 87 2HH1 ARG 87 -14.308 8.143 -13.752 676 HH22 ARG 87 1HH1 ARG 87 -12.820 8.281 -14.627 677 H SER 88 H SER 88 -13.508 3.200 -7.387 678 HA SER 88 HA SER 88 -12.678 2.783 -4.655 679 HB2 SER 88 1HB SER 88 -13.579 0.737 -4.960 680 HB3 SER 88 2HB SER 88 -14.048 1.219 -6.578 681 HG SER 88 HG SER 88 -11.885 0.517 -7.302 682 H TYR 89 H TYR 89 -10.575 1.901 -4.102 683 HA TYR 89 HA TYR 89 -8.625 1.777 -6.264 684 HB2 TYR 89 1HB TYR 89 -8.711 3.610 -3.803 685 HB3 TYR 89 2HB TYR 89 -7.175 3.206 -4.544 686 HD1 TYR 89 2HD TYR 89 -6.681 3.949 -6.884 687 HD2 TYR 89 1HD TYR 89 -10.198 5.213 -4.801 688 HE1 TYR 89 2HE TYR 89 -6.991 5.848 -8.546 689 HE2 TYR 89 1HE TYR 89 -10.497 7.107 -6.470 690 HH TYR 89 HH TYR 89 -8.452 7.342 -9.316 691 H GLN 90 H GLN 90 -7.193 0.120 -5.970 692 HA GLN 90 HA GLN 90 -7.252 -1.102 -3.324 693 HB2 GLN 90 1HB GLN 90 -7.172 -2.210 -6.103 694 HB3 GLN 90 2HB GLN 90 -6.219 -3.066 -4.907 695 HG2 GLN 90 1HG GLN 90 -8.204 -3.306 -3.445 696 HG3 GLN 90 2HG GLN 90 -9.169 -2.354 -4.555 697 HE21 GLN 90 1HE2 GLN 90 -9.733 -4.981 -3.697 698 HE22 GLN 90 2HE2 GLN 90 -9.706 -6.046 -5.063 699 H PHE 91 H PHE 91 -5.228 -1.898 -2.413 700 HA PHE 91 HA PHE 91 -2.860 -0.769 -3.726 701 HB2 PHE 91 1HB PHE 91 -3.805 -0.748 -0.802 702 HB3 PHE 91 2HB PHE 91 -2.142 -0.396 -1.230 703 HD1 PHE 91 1HD PHE 91 -2.244 1.334 -3.490 704 HD2 PHE 91 2HD PHE 91 -4.898 1.177 -0.182 705 HE1 PHE 91 1HE PHE 91 -2.849 3.742 -3.860 706 HE2 PHE 91 2HE PHE 91 -5.502 3.585 -0.553 707 HZ PHE 91 HZ PHE 91 -4.471 4.839 -2.388 708 H ARG 92 H ARG 92 -0.923 -1.977 -3.516 709 HA ARG 92 HA ARG 92 -0.823 -4.197 -1.798 710 HB2 ARG 92 1HB ARG 92 -0.525 -5.891 -3.735 711 HB3 ARG 92 2HB ARG 92 -2.166 -5.388 -3.383 712 HG2 ARG 92 1HG ARG 92 -2.346 -4.097 -5.325 713 HG3 ARG 92 2HG ARG 92 -0.629 -3.751 -5.388 714 HD2 ARG 92 1HD ARG 92 -0.718 -6.539 -5.697 715 HD3 ARG 92 2HD ARG 92 -2.131 -6.001 -6.582 716 HE ARG 92 HE ARG 92 -0.231 -4.251 -7.487 717 HH11 ARG 92 2HH2 ARG 92 -0.223 -7.755 -7.153 718 HH12 ARG 92 1HH2 ARG 92 0.868 -8.006 -8.475 719 HH21 ARG 92 2HH1 ARG 92 1.208 -4.582 -9.231 720 HH22 ARG 92 1HH1 ARG 92 1.687 -6.189 -9.665 721 H LEU 93 H LEU 93 1.271 -3.743 -1.136 722 HA LEU 93 HA LEU 93 3.237 -3.268 -3.267 723 HB2 LEU 93 1HB LEU 93 4.507 -1.983 -1.683 724 HB3 LEU 93 2HB LEU 93 2.886 -1.335 -1.842 725 HG LEU 93 HG LEU 93 3.622 -3.196 0.419 726 HD11 LEU 93 1HD1 LEU 93 5.090 -1.032 0.152 727 HD12 LEU 93 2HD1 LEU 93 3.644 -0.227 0.808 728 HD13 LEU 93 3HD1 LEU 93 4.447 -1.512 1.741 729 HD21 LEU 93 1HD2 LEU 93 1.221 -1.911 -0.434 730 HD22 LEU 93 2HD2 LEU 93 1.490 -2.966 0.975 731 HD23 LEU 93 3HD2 LEU 93 1.715 -1.206 1.124 732 H CYS 94 H CYS 94 5.370 -4.244 -2.979 733 HA CYS 94 HA CYS 94 5.220 -6.610 -1.255 734 HB2 CYS 94 1HB CYS 94 6.327 -7.921 -2.887 735 HB3 CYS 94 2HB CYS 94 5.052 -7.076 -3.741 736 HG CYS 94 HG CYS 94 7.474 -7.296 -5.028 737 H ALA 95 H ALA 95 7.706 -7.467 -1.025 738 HA ALA 95 HA ALA 95 9.205 -5.103 -0.158 739 HB1 ALA 95 1HB ALA 95 10.307 -6.624 1.395 740 HB2 ALA 95 2HB ALA 95 8.544 -6.814 1.544 741 HB3 ALA 95 3HB ALA 95 9.497 -8.024 0.652 742 H VAL 96 H VAL 96 11.328 -4.748 -0.856 743 HA VAL 96 HA VAL 96 12.428 -6.722 -2.708 744 HB VAL 96 HB VAL 96 12.312 -3.766 -3.311 745 HG11 VAL 96 1HG1 VAL 96 13.837 -4.274 -4.857 746 HG12 VAL 96 2HG1 VAL 96 13.756 -6.000 -4.428 747 HG13 VAL 96 3HG1 VAL 96 12.639 -5.331 -5.642 748 HG21 VAL 96 1HG2 VAL 96 10.495 -4.114 -4.785 749 HG22 VAL 96 2HG2 VAL 96 10.625 -5.885 -4.660 750 HG23 VAL 96 3HG2 VAL 96 10.039 -4.936 -3.273 751 H ASN 97 H ASN 97 14.598 -7.052 -2.408 752 HA ASN 97 HA ASN 97 15.980 -5.025 -0.848 753 HB2 ASN 97 1HB ASN 97 17.232 -7.260 0.064 754 HB3 ASN 97 2HB ASN 97 15.838 -6.576 0.877 755 HD21 ASN 97 1HD2 ASN 97 15.934 -8.948 1.552 756 HD22 ASN 97 2HD2 ASN 97 14.950 -10.058 0.658 757 H ASP 98 H ASP 98 18.537 -6.098 -0.801 758 HA ASP 98 HA ASP 98 19.412 -5.722 -3.378 759 HB2 ASP 98 1HB ASP 98 21.588 -6.255 -2.537 760 HB3 ASP 98 2HB ASP 98 20.728 -5.548 -1.184 761 H VAL 99 H VAL 99 18.479 -8.636 -1.520 762 HA VAL 99 HA VAL 99 19.640 -10.553 -3.203 763 HB VAL 99 HB VAL 99 18.321 -12.114 -2.017 764 HG11 VAL 99 1HG1 VAL 99 18.838 -11.610 0.254 765 HG12 VAL 99 2HG1 VAL 99 20.082 -10.812 -0.738 766 HG13 VAL 99 3HG1 VAL 99 18.751 -9.857 -0.041 767 HG21 VAL 99 1HG2 VAL 99 16.399 -9.872 -1.818 768 HG22 VAL 99 2HG2 VAL 99 16.115 -11.625 -1.947 769 HG23 VAL 99 3HG2 VAL 99 16.520 -10.902 -0.371 770 H GLY 100 H GLY 100 16.543 -8.750 -3.274 771 HA2 GLY 100 1HA GLY 100 16.078 -8.629 -5.881 772 HA3 GLY 100 2HA GLY 100 15.611 -10.289 -5.569 773 H LYS 101 H LYS 101 13.374 -9.922 -6.014 774 HA LYS 101 HA LYS 101 12.044 -8.286 -3.967 775 HB2 LYS 101 1HB LYS 101 11.663 -7.078 -5.914 776 HB3 LYS 101 2HB LYS 101 11.572 -8.507 -6.924 777 HG2 LYS 101 1HG LYS 101 9.436 -9.128 -5.576 778 HG3 LYS 101 2HG LYS 101 9.487 -7.492 -4.950 779 HD2 LYS 101 1HD LYS 101 9.292 -8.295 -7.890 780 HD3 LYS 101 2HD LYS 101 8.013 -7.590 -6.922 781 HE2 LYS 101 1HE LYS 101 9.216 -5.483 -6.709 782 HE3 LYS 101 2HE LYS 101 10.677 -6.176 -7.386 783 HZ1 LYS 101 1HZ LYS 101 9.918 -5.530 -9.333 784 HZ2 LYS 101 2HZ LYS 101 8.717 -6.632 -9.233 785 HZ3 LYS 101 3HZ LYS 101 8.462 -5.099 -8.730 786 H GLY 102 H GLY 102 9.946 -9.095 -3.230 787 HA2 GLY 102 1HA GLY 102 9.861 -12.038 -3.373 788 HA3 GLY 102 2HA GLY 102 9.245 -11.042 -2.071 789 H GLN 103 H GLN 103 7.046 -11.262 -2.007 790 HA GLN 103 HA GLN 103 5.684 -11.039 -4.579 791 HB2 GLN 103 1HB GLN 103 3.833 -12.399 -3.460 792 HB3 GLN 103 2HB GLN 103 5.312 -13.272 -3.810 793 HG2 GLN 103 1HG GLN 103 5.720 -13.675 -1.605 794 HG3 GLN 103 2HG GLN 103 5.439 -12.002 -1.165 795 HE21 GLN 103 1HE2 GLN 103 4.626 -13.833 0.556 796 HE22 GLN 103 2HE2 GLN 103 2.904 -14.016 0.582 797 H PHE 104 H PHE 104 3.466 -10.030 -4.453 798 HA PHE 104 HA PHE 104 3.588 -7.787 -2.632 799 HB2 PHE 104 1HB PHE 104 1.786 -8.666 -4.965 800 HB3 PHE 104 2HB PHE 104 1.536 -7.159 -4.105 801 HD1 PHE 104 2HD PHE 104 4.246 -8.995 -5.903 802 HD2 PHE 104 1HD PHE 104 2.506 -5.243 -4.951 803 HE1 PHE 104 2HE PHE 104 5.874 -7.852 -7.433 804 HE2 PHE 104 1HE PHE 104 4.135 -4.100 -6.481 805 HZ PHE 104 HZ PHE 104 5.799 -5.418 -7.704 806 H SER 105 H SER 105 1.536 -7.051 -1.519 807 HA SER 105 HA SER 105 0.475 -9.296 -0.118 808 HB2 SER 105 1HB SER 105 -0.826 -7.346 1.073 809 HB3 SER 105 2HB SER 105 0.900 -7.511 1.331 810 HG SER 105 HG SER 105 -0.537 -5.500 -0.018 811 H LYS 106 H LYS 106 -1.901 -9.644 0.179 812 HA LYS 106 HA LYS 106 -3.235 -9.766 -2.252 813 HB2 LYS 106 1HB LYS 106 -3.982 -10.167 0.623 814 HB3 LYS 106 2HB LYS 106 -5.260 -10.092 -0.573 815 HG2 LYS 106 1HG LYS 106 -4.053 -11.868 -1.914 816 HG3 LYS 106 2HG LYS 106 -2.861 -11.983 -0.634 817 HD2 LYS 106 1HD LYS 106 -4.460 -12.831 0.942 818 HD3 LYS 106 2HD LYS 106 -5.823 -12.324 -0.037 819 HE2 LYS 106 1HE LYS 106 -5.312 -14.015 -1.741 820 HE3 LYS 106 2HE LYS 106 -3.810 -14.435 -0.942 821 HZ1 LYS 106 1HZ LYS 106 -5.220 -16.000 -0.138 822 HZ2 LYS 106 2HZ LYS 106 -5.387 -14.879 1.037 823 HZ3 LYS 106 3HZ LYS 106 -6.531 -15.026 -0.120 824 H ASP 107 H ASP 107 -5.274 -8.678 -2.897 825 HA ASP 107 HA ASP 107 -4.930 -5.962 -2.971 826 HB2 ASP 107 1HB ASP 107 -7.319 -5.923 -3.799 827 HB3 ASP 107 2HB ASP 107 -6.298 -7.085 -4.624 828 H THR 108 H THR 108 -5.045 -4.603 -1.170 829 HA THR 108 HA THR 108 -6.234 -5.239 1.240 830 HB THR 108 HB THR 108 -6.048 -2.689 1.563 831 HG1 THR 108 1HG THR 108 -5.892 -1.611 -0.362 832 HG21 THR 108 1HG2 THR 108 -3.876 -4.562 0.795 833 HG22 THR 108 2HG2 THR 108 -3.480 -2.856 0.476 834 HG23 THR 108 3HG2 THR 108 -3.923 -3.375 2.120 835 H GLU 109 H GLU 109 -8.153 -4.558 2.315 836 HA GLU 109 HA GLU 109 -10.431 -5.104 1.117 837 HB2 GLU 109 1HB GLU 109 -9.643 -3.610 3.497 838 HB3 GLU 109 2HB GLU 109 -11.124 -2.950 2.833 839 HG2 GLU 109 1HG GLU 109 -12.294 -5.012 3.041 840 HG3 GLU 109 2HG GLU 109 -10.818 -5.953 3.129 841 H ARG 110 H ARG 110 -11.698 -4.304 -0.512 842 HA ARG 110 HA ARG 110 -10.958 -2.403 -2.185 843 HB2 ARG 110 1HB ARG 110 -13.103 -4.000 -2.077 844 HB3 ARG 110 2HB ARG 110 -13.908 -2.552 -1.502 845 HG2 ARG 110 1HG ARG 110 -12.569 -1.504 -3.647 846 HG3 ARG 110 2HG ARG 110 -12.776 -3.151 -4.211 847 HD2 ARG 110 1HD ARG 110 -15.268 -2.249 -3.014 848 HD3 ARG 110 2HD ARG 110 -14.729 -1.051 -4.174 849 HE ARG 110 HE ARG 110 -15.158 -2.567 -5.904 850 HH11 ARG 110 2HH2 ARG 110 -14.968 -4.322 -2.860 851 HH12 ARG 110 1HH2 ARG 110 -15.480 -5.827 -3.548 852 HH21 ARG 110 2HH1 ARG 110 -15.833 -4.552 -6.813 853 HH22 ARG 110 1HH1 ARG 110 -15.975 -5.959 -5.812 854 H VAL 111 H VAL 111 -10.288 -0.322 -1.712 855 HA VAL 111 HA VAL 111 -11.724 1.143 0.354 856 HB VAL 111 HB VAL 111 -9.256 1.973 -1.170 857 HG11 VAL 111 1HG1 VAL 111 -8.872 3.116 1.141 858 HG12 VAL 111 2HG1 VAL 111 -10.034 3.832 -0.002 859 HG13 VAL 111 3HG1 VAL 111 -10.618 2.858 1.368 860 HG21 VAL 111 1HG2 VAL 111 -9.454 0.243 1.316 861 HG22 VAL 111 2HG2 VAL 111 -8.735 -0.191 -0.254 862 HG23 VAL 111 3HG2 VAL 111 -7.962 1.045 0.768 863 H SER 112 H SER 112 -13.263 2.626 -0.124 864 HA SER 112 HA SER 112 -13.425 3.411 -2.922 865 HB2 SER 112 1HB SER 112 -15.469 2.381 -2.370 866 HB3 SER 112 2HB SER 112 -15.476 3.023 -0.740 867 HG SER 112 HG SER 112 -16.071 4.399 -3.205 868 H LEU 113 H LEU 113 -13.555 5.638 -3.484 869 HA LEU 113 HA LEU 113 -12.485 7.408 -1.494 870 HB2 LEU 113 1HB LEU 113 -12.610 7.234 -4.359 871 HB3 LEU 113 2HB LEU 113 -13.190 8.806 -3.846 872 HG LEU 113 HG LEU 113 -10.586 8.182 -4.297 873 HD11 LEU 113 1HD1 LEU 113 -12.072 10.378 -3.385 874 HD12 LEU 113 2HD1 LEU 113 -10.711 10.218 -2.249 875 HD13 LEU 113 3HD1 LEU 113 -10.399 10.373 -3.994 876 HD21 LEU 113 1HD2 LEU 113 -10.784 6.694 -2.176 877 HD22 LEU 113 2HD2 LEU 113 -9.359 7.742 -2.383 878 HD23 LEU 113 3HD2 LEU 113 -10.677 8.236 -1.293 879 HA PRO 114 HA PRO 114 -16.232 9.176 -0.288 880 HB2 PRO 114 1HB PRO 114 -15.419 11.634 0.588 881 HB3 PRO 114 2HB PRO 114 -15.257 10.174 1.544 882 HG2 PRO 114 1HG PRO 114 -13.169 11.676 0.087 883 HG3 PRO 114 2HG PRO 114 -12.980 10.494 1.368 884 HD2 PRO 114 1HD PRO 114 -12.533 10.075 -1.434 885 HD3 PRO 114 2HD PRO 114 -12.457 8.866 -0.169 886 H GLU 115 H GLU 115 -17.868 9.565 -1.631 887 HA GLU 115 HA GLU 115 -17.452 10.954 -3.970 888 HB2 GLU 115 1HB GLU 115 -19.408 9.360 -3.123 889 HB3 GLU 115 2HB GLU 115 -20.181 10.868 -2.676 890 HG2 GLU 115 1HG GLU 115 -18.989 10.857 -5.409 891 HG3 GLU 115 2HG GLU 115 -20.307 9.723 -5.189 892 H SER 116 H SER 116 -16.609 13.028 -3.897 893 HA SER 116 HA SER 116 -17.788 14.866 -2.010 894 HB2 SER 116 1HB SER 116 -15.339 14.816 -2.168 895 HB3 SER 116 2HB SER 116 -15.404 15.111 -3.895 896 HG SER 116 HG SER 116 -14.966 17.085 -2.826 897 H GLY 117 H GLY 117 -19.337 16.352 -2.604 898 HA2 GLY 117 1HA GLY 117 -19.830 18.066 -4.335 899 HA3 GLY 117 2HA GLY 117 -19.751 16.765 -5.506 900 HA PRO 118 HA PRO 118 -23.926 17.002 -3.354 901 HB2 PRO 118 1HB PRO 118 -25.252 19.065 -4.559 902 HB3 PRO 118 2HB PRO 118 -24.483 19.206 -2.991 903 HG2 PRO 118 1HG PRO 118 -23.577 20.258 -5.600 904 HG3 PRO 118 2HG PRO 118 -23.072 20.733 -3.991 905 HD2 PRO 118 1HD PRO 118 -21.614 19.084 -5.830 906 HD3 PRO 118 2HD PRO 118 -21.165 19.463 -4.179 907 H SER 119 H SER 119 -23.352 17.875 -6.714 908 HA SER 119 HA SER 119 -25.518 16.944 -7.891 909 HB2 SER 119 1HB SER 119 -22.621 16.476 -8.708 910 HB3 SER 119 2HB SER 119 -23.970 16.137 -9.774 911 HG SER 119 HG SER 119 -22.996 18.651 -8.821 912 H SER 120 H SER 120 -26.332 14.896 -8.696 913 HA SER 120 HA SER 120 -26.045 12.814 -6.900 914 HB2 SER 120 1HB SER 120 -27.531 13.378 -9.360 915 HB3 SER 120 2HB SER 120 -27.028 11.700 -9.308 916 HG SER 120 HG SER 120 -28.333 13.010 -7.083 917 H GLY 121 H GLY 121 -24.172 11.648 -6.619 918 HA2 GLY 121 1HA GLY 121 -22.388 10.367 -7.090 919 HA3 GLY 121 2HA GLY 121 -23.141 9.991 -8.627 Start of MODEL 17 1 H1 GLY 1 H GLY 1 9.547 -25.840 -8.752 2 HA2 GLY 1 1HA GLY 1 8.471 -25.655 -10.762 3 HA3 GLY 1 2HA GLY 1 7.345 -26.915 -10.297 4 H SER 2 H SER 2 5.907 -26.224 -8.238 5 HA SER 2 HA SER 2 5.204 -23.423 -8.539 6 HB2 SER 2 1HB SER 2 2.912 -23.849 -8.921 7 HB3 SER 2 2HB SER 2 3.723 -25.008 -9.956 8 HG SER 2 HG SER 2 3.133 -26.681 -8.652 9 H SER 3 H SER 3 4.351 -26.511 -6.800 10 HA SER 3 HA SER 3 4.672 -25.011 -4.329 11 HB2 SER 3 1HB SER 3 2.718 -26.377 -3.402 12 HB3 SER 3 2HB SER 3 2.296 -25.120 -4.548 13 HG SER 3 HG SER 3 2.322 -27.965 -4.908 14 H GLY 4 H GLY 4 6.473 -25.954 -3.421 15 HA2 GLY 4 1HA GLY 4 6.419 -28.827 -2.951 16 HA3 GLY 4 2HA GLY 4 7.729 -28.237 -3.955 17 H SER 5 H SER 5 6.078 -27.631 -0.784 18 HA SER 5 HA SER 5 8.010 -26.015 0.285 19 HB2 SER 5 1HB SER 5 5.668 -27.422 1.183 20 HB3 SER 5 2HB SER 5 6.937 -27.717 2.355 21 HG SER 5 HG SER 5 7.280 -25.246 2.156 22 H SER 6 H SER 6 9.501 -26.645 2.216 23 HA SER 6 HA SER 6 10.357 -29.234 2.552 24 HB2 SER 6 1HB SER 6 11.224 -28.311 0.072 25 HB3 SER 6 2HB SER 6 12.604 -27.970 1.098 26 HG SER 6 HG SER 6 13.079 -30.048 1.059 27 H GLY 7 H GLY 7 11.839 -25.941 2.054 28 HA2 GLY 7 1HA GLY 7 12.228 -24.554 3.982 29 HA3 GLY 7 2HA GLY 7 12.634 -25.990 4.901 30 H ARG 8 H ARG 8 14.616 -27.234 4.284 31 HA ARG 8 HA ARG 8 16.704 -27.403 3.748 32 HB2 ARG 8 1HB ARG 8 15.711 -26.510 1.427 33 HB3 ARG 8 2HB ARG 8 16.634 -25.071 1.813 34 HG2 ARG 8 1HG ARG 8 18.661 -26.629 2.186 35 HG3 ARG 8 2HG ARG 8 17.697 -27.909 1.478 36 HD2 ARG 8 1HD ARG 8 17.357 -25.868 -0.378 37 HD3 ARG 8 2HD ARG 8 18.998 -25.579 0.165 38 HE ARG 8 HE ARG 8 18.745 -28.374 -0.300 39 HH11 ARG 8 2HH2 ARG 8 18.687 -25.370 -2.132 40 HH12 ARG 8 1HH2 ARG 8 19.268 -26.100 -3.591 41 HH21 ARG 8 2HH1 ARG 8 19.511 -29.337 -2.225 42 HH22 ARG 8 1HH1 ARG 8 19.739 -28.372 -3.645 43 H SER 9 H SER 9 17.927 -26.761 5.511 44 HA SER 9 HA SER 9 18.999 -24.137 5.467 45 HB2 SER 9 1HB SER 9 17.012 -23.494 6.638 46 HB3 SER 9 2HB SER 9 17.018 -24.944 7.622 47 HG SER 9 HG SER 9 18.932 -22.772 7.751 48 H ALA 10 H ALA 10 21.042 -24.144 6.455 49 HA ALA 10 HA ALA 10 21.698 -26.592 7.949 50 HB1 ALA 10 1HB ALA 10 23.855 -26.585 6.905 51 HB2 ALA 10 2HB ALA 10 22.664 -26.367 5.600 52 HB3 ALA 10 3HB ALA 10 23.586 -24.970 6.206 53 H HIS 11 H HIS 11 22.873 -23.203 7.321 54 HA HIS 11 HA HIS 11 22.552 -22.364 9.930 55 HB2 HIS 11 1HB HIS 11 24.179 -23.906 10.687 56 HB3 HIS 11 2HB HIS 11 25.255 -23.569 9.345 57 HD1 HIS 11 1HD HIS 11 24.955 -22.889 12.820 58 HD2 HIS 11 2HD HIS 11 26.074 -20.590 9.495 59 HE1 HIS 11 1HE HIS 11 26.282 -20.910 13.733 60 H LEU 12 H LEU 12 24.987 -22.229 7.234 61 HA LEU 12 HA LEU 12 25.650 -19.606 7.385 62 HB2 LEU 12 1HB LEU 12 25.197 -21.260 4.897 63 HB3 LEU 12 2HB LEU 12 26.081 -19.748 4.959 64 HG LEU 12 HG LEU 12 27.314 -21.321 6.909 65 HD11 LEU 12 1HD1 LEU 12 27.642 -23.470 6.140 66 HD12 LEU 12 2HD1 LEU 12 25.930 -23.201 5.735 67 HD13 LEU 12 3HD1 LEU 12 27.176 -23.065 4.471 68 HD21 LEU 12 1HD2 LEU 12 28.266 -19.700 5.201 69 HD22 LEU 12 2HD2 LEU 12 29.232 -21.155 5.546 70 HD23 LEU 12 3HD2 LEU 12 28.266 -21.061 4.054 71 H ARG 13 H ARG 13 24.754 -17.627 6.892 72 HA ARG 13 HA ARG 13 21.942 -17.613 6.665 73 HB2 ARG 13 1HB ARG 13 24.131 -15.562 6.948 74 HB3 ARG 13 2HB ARG 13 22.597 -14.995 6.317 75 HG2 ARG 13 1HG ARG 13 22.022 -14.788 8.524 76 HG3 ARG 13 2HG ARG 13 21.708 -16.510 8.426 77 HD2 ARG 13 1HD ARG 13 23.333 -16.894 9.963 78 HD3 ARG 13 2HD ARG 13 24.528 -16.222 8.872 79 HE ARG 13 HE ARG 13 22.950 -14.213 10.341 80 HH11 ARG 13 2HH2 ARG 13 25.873 -16.172 10.290 81 HH12 ARG 13 1HH2 ARG 13 26.733 -15.146 11.389 82 HH21 ARG 13 2HH1 ARG 13 24.084 -12.860 11.792 83 HH22 ARG 13 1HH1 ARG 13 25.708 -13.249 12.249 84 H VAL 14 H VAL 14 20.835 -17.806 4.743 85 HA VAL 14 HA VAL 14 22.255 -17.011 2.304 86 HB VAL 14 HB VAL 14 21.370 -19.397 2.761 87 HG11 VAL 14 1HG1 VAL 14 19.085 -19.855 2.338 88 HG12 VAL 14 2HG1 VAL 14 19.095 -18.501 3.494 89 HG13 VAL 14 3HG1 VAL 14 18.774 -18.197 1.770 90 HG21 VAL 14 1HG2 VAL 14 20.839 -19.703 0.376 91 HG22 VAL 14 2HG2 VAL 14 20.664 -17.941 0.190 92 HG23 VAL 14 3HG2 VAL 14 22.248 -18.640 0.604 93 H ARG 15 H ARG 15 21.618 -15.198 1.256 94 HA ARG 15 HA ARG 15 19.383 -13.802 2.322 95 HB2 ARG 15 1HB ARG 15 21.251 -13.146 -0.013 96 HB3 ARG 15 2HB ARG 15 20.062 -12.036 0.641 97 HG2 ARG 15 1HG ARG 15 21.193 -11.929 2.780 98 HG3 ARG 15 2HG ARG 15 22.214 -13.299 2.390 99 HD2 ARG 15 1HD ARG 15 22.675 -11.450 0.290 100 HD3 ARG 15 2HD ARG 15 22.595 -10.463 1.736 101 HE ARG 15 HE ARG 15 24.553 -11.500 2.555 102 HH11 ARG 15 2HH2 ARG 15 23.371 -13.204 -0.289 103 HH12 ARG 15 1HH2 ARG 15 24.805 -14.160 -0.469 104 HH21 ARG 15 2HH1 ARG 15 26.444 -12.761 2.318 105 HH22 ARG 15 1HH1 ARG 15 26.564 -13.906 1.024 106 H GLN 16 H GLN 16 17.512 -15.040 1.729 107 HA GLN 16 HA GLN 16 17.168 -15.531 -1.101 108 HB2 GLN 16 1HB GLN 16 15.488 -17.096 -0.501 109 HB3 GLN 16 2HB GLN 16 16.720 -17.292 0.729 110 HG2 GLN 16 1HG GLN 16 15.013 -15.227 1.693 111 HG3 GLN 16 2HG GLN 16 13.940 -16.444 1.030 112 HE21 GLN 16 1HE2 GLN 16 17.145 -16.744 2.533 113 HE22 GLN 16 2HE2 GLN 16 16.682 -17.775 3.846 114 H LEU 17 H LEU 17 14.853 -15.109 -1.991 115 HA LEU 17 HA LEU 17 14.344 -12.379 -1.814 116 HB2 LEU 17 1HB LEU 17 12.994 -14.746 -3.026 117 HB3 LEU 17 2HB LEU 17 12.095 -13.246 -2.913 118 HG LEU 17 HG LEU 17 14.780 -13.567 -4.284 119 HD11 LEU 17 1HD1 LEU 17 13.176 -14.772 -5.561 120 HD12 LEU 17 2HD1 LEU 17 11.966 -13.477 -5.392 121 HD13 LEU 17 3HD1 LEU 17 13.426 -13.209 -6.375 122 HD21 LEU 17 1HD2 LEU 17 14.619 -11.330 -3.519 123 HD22 LEU 17 2HD2 LEU 17 14.186 -11.306 -5.245 124 HD23 LEU 17 3HD2 LEU 17 12.911 -11.206 -4.007 125 HA PRO 18 HA PRO 18 11.893 -12.165 1.743 126 HB2 PRO 18 1HB PRO 18 10.852 -9.658 1.432 127 HB3 PRO 18 2HB PRO 18 12.455 -9.957 2.073 128 HG2 PRO 18 1HG PRO 18 11.684 -8.968 -0.604 129 HG3 PRO 18 2HG PRO 18 13.241 -8.872 0.195 130 HD2 PRO 18 1HD PRO 18 12.495 -10.686 -1.898 131 HD3 PRO 18 2HD PRO 18 14.011 -10.666 -1.020 132 H HIS 19 H HIS 19 9.636 -11.769 2.586 133 HA HIS 19 HA HIS 19 7.883 -12.886 0.542 134 HB2 HIS 19 1HB HIS 19 6.843 -14.045 2.174 135 HB3 HIS 19 2HB HIS 19 8.369 -13.811 3.004 136 HD1 HIS 19 1HD HIS 19 4.902 -13.595 3.663 137 HD2 HIS 19 2HD HIS 19 8.170 -11.125 4.568 138 HE1 HIS 19 1HE HIS 19 4.172 -12.133 5.622 139 H ALA 20 H ALA 20 5.446 -12.150 0.905 140 HA ALA 20 HA ALA 20 5.453 -9.340 0.423 141 HB1 ALA 20 1HB ALA 20 2.825 -10.044 0.567 142 HB2 ALA 20 2HB ALA 20 3.838 -10.296 -0.875 143 HB3 ALA 20 3HB ALA 20 3.566 -11.634 0.266 144 HA PRO 21 HA PRO 21 4.343 -7.936 4.360 145 HB2 PRO 21 1HB PRO 21 2.621 -5.873 3.862 146 HB3 PRO 21 2HB PRO 21 4.360 -5.729 3.701 147 HG2 PRO 21 1HG PRO 21 2.315 -5.954 1.578 148 HG3 PRO 21 2HG PRO 21 3.970 -5.393 1.452 149 HD2 PRO 21 1HD PRO 21 2.957 -7.948 0.633 150 HD3 PRO 21 2HD PRO 21 4.631 -7.429 0.614 151 H GLU 22 H GLU 22 2.884 -7.914 6.139 152 HA GLU 22 HA GLU 22 0.560 -9.514 5.427 153 HB2 GLU 22 1HB GLU 22 2.453 -9.508 7.697 154 HB3 GLU 22 2HB GLU 22 0.778 -9.589 8.205 155 HG2 GLU 22 1HG GLU 22 0.698 -11.408 6.176 156 HG3 GLU 22 2HG GLU 22 2.384 -11.570 6.624 157 H HIS 23 H HIS 23 -1.235 -9.144 7.384 158 HA HIS 23 HA HIS 23 -2.957 -7.746 7.688 159 HB2 HIS 23 1HB HIS 23 -0.820 -7.348 9.486 160 HB3 HIS 23 2HB HIS 23 -1.455 -5.750 9.152 161 HD1 HIS 23 1HD HIS 23 -4.296 -5.712 9.326 162 HD2 HIS 23 2HD HIS 23 -2.159 -8.587 11.509 163 HE1 HIS 23 1HE HIS 23 -5.859 -6.511 11.179 164 HA PRO 24 HA PRO 24 -1.697 -4.656 4.539 165 HB2 PRO 24 1HB PRO 24 -2.972 -5.687 2.353 166 HB3 PRO 24 2HB PRO 24 -1.275 -5.962 2.691 167 HG2 PRO 24 1HG PRO 24 -3.554 -7.818 3.011 168 HG3 PRO 24 2HG PRO 24 -1.842 -8.185 2.931 169 HD2 PRO 24 1HD PRO 24 -3.478 -8.132 5.287 170 HD3 PRO 24 2HD PRO 24 -1.745 -8.385 5.220 171 H VAL 25 H VAL 25 -2.985 -3.412 6.059 172 HA VAL 25 HA VAL 25 -5.794 -3.353 5.262 173 HB VAL 25 HB VAL 25 -4.510 -1.872 7.547 174 HG11 VAL 25 1HG1 VAL 25 -7.192 -2.988 7.898 175 HG12 VAL 25 2HG1 VAL 25 -6.601 -1.327 8.142 176 HG13 VAL 25 3HG1 VAL 25 -7.087 -1.869 6.518 177 HG21 VAL 25 1HG2 VAL 25 -3.818 -4.153 7.873 178 HG22 VAL 25 2HG2 VAL 25 -5.166 -3.820 8.987 179 HG23 VAL 25 3HG2 VAL 25 -5.450 -4.757 7.501 180 H ALA 26 H ALA 26 -6.803 -1.441 4.510 181 HA ALA 26 HA ALA 26 -5.037 0.830 4.016 182 HB1 ALA 26 1HB ALA 26 -5.774 0.932 1.664 183 HB2 ALA 26 2HB ALA 26 -4.922 -0.594 2.000 184 HB3 ALA 26 3HB ALA 26 -6.698 -0.574 1.883 185 H THR 27 H THR 27 -6.048 2.460 5.078 186 HA THR 27 HA THR 27 -8.979 2.598 4.795 187 HB THR 27 HB THR 27 -8.506 3.908 7.132 188 HG1 THR 27 1HG THR 27 -6.364 3.486 7.542 189 HG21 THR 27 1HG2 THR 27 -9.913 1.771 6.779 190 HG22 THR 27 2HG2 THR 27 -8.410 0.854 7.039 191 HG23 THR 27 3HG2 THR 27 -9.064 1.878 8.340 192 H LEU 28 H LEU 28 -9.920 4.731 4.709 193 HA LEU 28 HA LEU 28 -8.304 6.462 3.118 194 HB2 LEU 28 1HB LEU 28 -11.099 6.054 3.721 195 HB3 LEU 28 2HB LEU 28 -10.692 7.755 3.826 196 HG LEU 28 HG LEU 28 -10.149 5.978 1.431 197 HD11 LEU 28 1HD1 LEU 28 -12.575 6.441 1.937 198 HD12 LEU 28 2HD1 LEU 28 -12.225 8.165 1.666 199 HD13 LEU 28 3HD1 LEU 28 -12.000 6.994 0.345 200 HD21 LEU 28 1HD2 LEU 28 -8.574 7.932 1.839 201 HD22 LEU 28 2HD2 LEU 28 -9.406 7.888 0.266 202 HD23 LEU 28 3HD2 LEU 28 -9.973 8.992 1.543 203 H SER 29 H SER 29 -8.390 8.943 3.665 204 HA SER 29 HA SER 29 -7.264 9.120 6.313 205 HB2 SER 29 1HB SER 29 -7.294 11.045 3.950 206 HB3 SER 29 2HB SER 29 -6.572 11.439 5.497 207 HG SER 29 HG SER 29 -5.236 9.441 5.205 208 H THR 30 H THR 30 -8.408 9.959 8.024 209 HA THR 30 HA THR 30 -10.978 11.205 7.434 210 HB THR 30 HB THR 30 -11.434 10.692 9.791 211 HG1 THR 30 1HG THR 30 -8.699 9.699 9.900 212 HG21 THR 30 1HG2 THR 30 -11.637 8.626 8.575 213 HG22 THR 30 2HG2 THR 30 -9.879 8.518 8.319 214 HG23 THR 30 3HG2 THR 30 -10.562 8.236 9.938 215 H VAL 31 H VAL 31 -8.346 12.573 6.904 216 HA VAL 31 HA VAL 31 -9.079 15.014 8.267 217 HB VAL 31 HB VAL 31 -6.868 13.360 9.107 218 HG11 VAL 31 1HG1 VAL 31 -5.111 15.078 9.160 219 HG12 VAL 31 2HG1 VAL 31 -5.554 14.654 7.489 220 HG13 VAL 31 3HG1 VAL 31 -6.145 16.171 8.209 221 HG21 VAL 31 1HG2 VAL 31 -7.864 16.053 10.098 222 HG22 VAL 31 2HG2 VAL 31 -8.510 14.468 10.585 223 HG23 VAL 31 3HG2 VAL 31 -6.834 14.910 10.993 224 H GLU 32 H GLU 32 -6.753 13.292 6.089 225 HA GLU 32 HA GLU 32 -6.483 15.721 4.566 226 HB2 GLU 32 1HB GLU 32 -4.852 13.414 5.067 227 HB3 GLU 32 2HB GLU 32 -5.160 13.459 3.342 228 HG2 GLU 32 1HG GLU 32 -4.230 15.907 4.909 229 HG3 GLU 32 2HG GLU 32 -3.111 14.783 4.164 230 H ARG 33 H ARG 33 -7.717 16.177 2.792 231 HA ARG 33 HA ARG 33 -9.701 14.375 2.020 232 HB2 ARG 33 1HB ARG 33 -8.743 17.085 1.155 233 HB3 ARG 33 2HB ARG 33 -9.671 16.193 -0.033 234 HG2 ARG 33 1HG ARG 33 -10.609 16.637 2.839 235 HG3 ARG 33 2HG ARG 33 -11.048 17.690 1.509 236 HD2 ARG 33 1HD ARG 33 -12.149 15.824 0.327 237 HD3 ARG 33 2HD ARG 33 -11.595 14.682 1.536 238 HE ARG 33 HE ARG 33 -13.826 16.568 1.803 239 HH11 ARG 33 2HH2 ARG 33 -11.506 14.571 3.540 240 HH12 ARG 33 1HH2 ARG 33 -12.471 14.475 4.975 241 HH21 ARG 33 2HH1 ARG 33 -15.099 16.441 3.696 242 HH22 ARG 33 1HH1 ARG 33 -14.529 15.545 5.065 243 H ARG 34 H ARG 34 -9.803 12.921 0.276 244 HA ARG 34 HA ARG 34 -9.104 11.607 -1.290 245 HB2 ARG 34 1HB ARG 34 -7.271 13.792 -2.360 246 HB3 ARG 34 2HB ARG 34 -8.119 12.559 -3.272 247 HG2 ARG 34 1HG ARG 34 -10.295 13.704 -2.243 248 HG3 ARG 34 2HG ARG 34 -9.228 15.073 -2.003 249 HD2 ARG 34 1HD ARG 34 -9.484 13.669 -4.699 250 HD3 ARG 34 2HD ARG 34 -10.525 15.001 -4.237 251 HE ARG 34 HE ARG 34 -7.655 15.158 -4.887 252 HH11 ARG 34 2HH2 ARG 34 -10.421 16.783 -3.440 253 HH12 ARG 34 1HH2 ARG 34 -9.735 18.365 -3.597 254 HH21 ARG 34 2HH1 ARG 34 -6.750 17.246 -5.094 255 HH22 ARG 34 1HH1 ARG 34 -7.633 18.631 -4.544 256 H ALA 35 H ALA 35 -7.790 11.077 1.022 257 HA ALA 35 HA ALA 35 -5.157 10.296 0.073 258 HB1 ALA 35 1HB ALA 35 -5.396 11.556 2.806 259 HB2 ALA 35 2HB ALA 35 -3.951 11.327 1.791 260 HB3 ALA 35 3HB ALA 35 -5.145 12.578 1.370 261 H ILE 36 H ILE 36 -4.675 8.228 0.712 262 HA ILE 36 HA ILE 36 -6.474 7.080 2.732 263 HB ILE 36 HB ILE 36 -5.278 5.888 0.236 264 HG12 ILE 36 1HG1 ILE 36 -8.168 6.049 1.124 265 HG13 ILE 36 2HG1 ILE 36 -7.403 7.258 0.112 266 HG21 ILE 36 1HG2 ILE 36 -5.935 3.738 0.880 267 HG22 ILE 36 2HG2 ILE 36 -5.136 4.403 2.325 268 HG23 ILE 36 3HG2 ILE 36 -6.913 4.339 2.240 269 HD11 ILE 36 1HD1 ILE 36 -6.686 5.206 -1.384 270 HD12 ILE 36 2HD1 ILE 36 -7.989 4.356 -0.519 271 HD13 ILE 36 3HD1 ILE 36 -8.357 5.810 -1.478 272 H ASN 37 H ASN 37 -5.578 5.818 4.385 273 HA ASN 37 HA ASN 37 -2.700 6.146 4.590 274 HB2 ASN 37 1HB ASN 37 -4.950 6.267 6.477 275 HB3 ASN 37 2HB ASN 37 -3.744 5.127 7.040 276 HD21 ASN 37 1HD2 ASN 37 -4.697 8.130 7.429 277 HD22 ASN 37 2HD2 ASN 37 -3.213 8.977 7.711 278 H LEU 38 H LEU 38 -1.685 4.289 3.774 279 HA LEU 38 HA LEU 38 -3.007 1.729 4.084 280 HB2 LEU 38 1HB LEU 38 -1.783 2.704 1.993 281 HB3 LEU 38 2HB LEU 38 -0.331 2.155 2.806 282 HG LEU 38 HG LEU 38 -1.760 -0.112 2.977 283 HD11 LEU 38 1HD1 LEU 38 -2.696 1.027 0.337 284 HD12 LEU 38 2HD1 LEU 38 -3.140 -0.523 1.092 285 HD13 LEU 38 3HD1 LEU 38 -3.698 1.008 1.808 286 HD21 LEU 38 1HD2 LEU 38 0.298 0.944 1.222 287 HD22 LEU 38 2HD2 LEU 38 0.133 -0.670 1.955 288 HD23 LEU 38 3HD2 LEU 38 -0.680 -0.305 0.415 289 H THR 39 H THR 39 -2.256 0.014 5.347 290 HA THR 39 HA THR 39 0.178 0.448 6.888 291 HB THR 39 HB THR 39 -1.097 -0.028 9.013 292 HG1 THR 39 1HG THR 39 -3.352 0.466 7.206 293 HG21 THR 39 1HG2 THR 39 -2.528 2.255 7.597 294 HG22 THR 39 2HG2 THR 39 -2.047 2.142 9.307 295 HG23 THR 39 3HG2 THR 39 -0.814 2.409 8.051 296 H TRP 40 H TRP 40 1.389 -1.331 6.817 297 HA TRP 40 HA TRP 40 -0.022 -3.896 6.682 298 HB2 TRP 40 1HB TRP 40 1.534 -4.707 5.007 299 HB3 TRP 40 2HB TRP 40 0.587 -3.360 4.408 300 HD1 TRP 40 HD TRP 40 4.198 -4.350 5.136 301 HE1 TRP 40 1HE TRP 40 5.906 -2.526 4.288 302 HE3 TRP 40 3HE TRP 40 0.703 -0.809 4.086 303 HZ2 TRP 40 2HZ TRP 40 5.610 0.133 3.295 304 HZ3 TRP 40 3HZ TRP 40 1.497 1.374 3.181 305 HH2 TRP 40 HH TRP 40 3.857 1.872 2.784 306 H THR 41 H THR 41 1.737 -5.716 7.124 307 HA THR 41 HA THR 41 3.232 -4.797 9.463 308 HB THR 41 HB THR 41 2.380 -7.559 8.444 309 HG1 THR 41 1HG THR 41 1.633 -5.754 10.638 310 HG21 THR 41 1HG2 THR 41 2.880 -8.105 10.947 311 HG22 THR 41 2HG2 THR 41 4.280 -7.985 9.855 312 HG23 THR 41 3HG2 THR 41 3.875 -6.630 10.936 313 H LYS 42 H LYS 42 5.420 -5.657 9.865 314 HA LYS 42 HA LYS 42 7.001 -5.250 7.521 315 HB2 LYS 42 1HB LYS 42 7.505 -4.434 9.882 316 HB3 LYS 42 2HB LYS 42 7.948 -6.083 10.272 317 HG2 LYS 42 1HG LYS 42 9.157 -4.903 7.783 318 HG3 LYS 42 2HG LYS 42 9.732 -4.279 9.316 319 HD2 LYS 42 1HD LYS 42 10.226 -6.623 10.072 320 HD3 LYS 42 2HD LYS 42 9.680 -7.229 8.522 321 HE2 LYS 42 1HE LYS 42 11.640 -5.092 8.133 322 HE3 LYS 42 2HE LYS 42 12.294 -6.327 9.190 323 HZ1 LYS 42 1HZ LYS 42 10.946 -7.032 6.691 324 HZ2 LYS 42 2HZ LYS 42 12.537 -6.666 6.728 325 HZ3 LYS 42 3HZ LYS 42 11.973 -7.942 7.577 326 HA PRO 43 HA PRO 43 6.961 -9.524 6.565 327 HB2 PRO 43 1HB PRO 43 8.072 -9.308 4.078 328 HB3 PRO 43 2HB PRO 43 6.353 -9.145 4.377 329 HG2 PRO 43 1HG PRO 43 8.340 -7.036 3.793 330 HG3 PRO 43 2HG PRO 43 6.593 -6.961 3.675 331 HD2 PRO 43 1HD PRO 43 8.222 -5.841 5.753 332 HD3 PRO 43 2HD PRO 43 6.471 -5.868 5.693 333 H PHE 44 H PHE 44 8.392 -11.308 6.428 334 HA PHE 44 HA PHE 44 10.772 -10.799 7.805 335 HB2 PHE 44 1HB PHE 44 9.905 -13.002 7.999 336 HB3 PHE 44 2HB PHE 44 9.383 -13.044 6.326 337 HD1 PHE 44 1HD PHE 44 10.988 -13.599 4.539 338 HD2 PHE 44 2HD PHE 44 12.106 -13.732 8.630 339 HE1 PHE 44 1HE PHE 44 13.008 -14.965 3.943 340 HE2 PHE 44 2HE PHE 44 14.126 -15.098 8.034 341 HZ PHE 44 HZ PHE 44 14.552 -15.699 5.697 342 H ASP 45 H ASP 45 13.003 -11.112 7.098 343 HA ASP 45 HA ASP 45 13.281 -10.448 4.273 344 HB2 ASP 45 1HB ASP 45 15.159 -9.108 4.809 345 HB3 ASP 45 2HB ASP 45 14.030 -8.769 6.106 346 H GLY 46 H GLY 46 14.267 -12.082 3.072 347 HA2 GLY 46 1HA GLY 46 14.936 -14.541 3.806 348 HA3 GLY 46 2HA GLY 46 15.809 -13.679 2.555 349 H ASN 47 H ASN 47 17.246 -11.734 3.933 350 HA ASN 47 HA ASN 47 18.394 -12.418 6.281 351 HB2 ASN 47 1HB ASN 47 19.213 -14.269 4.249 352 HB3 ASN 47 2HB ASN 47 20.586 -13.215 4.518 353 HD21 ASN 47 1HD2 ASN 47 20.446 -15.965 5.140 354 HD22 ASN 47 2HD2 ASN 47 20.621 -16.172 6.850 355 H SER 48 H SER 48 17.641 -10.126 4.690 356 HA SER 48 HA SER 48 20.112 -8.701 4.798 357 HB2 SER 48 1HB SER 48 19.389 -9.747 2.317 358 HB3 SER 48 2HB SER 48 18.737 -8.122 2.243 359 HG SER 48 HG SER 48 20.736 -7.531 1.764 360 HA PRO 49 HA PRO 49 17.288 -5.569 5.868 361 HB2 PRO 49 1HB PRO 49 18.702 -3.286 5.359 362 HB3 PRO 49 2HB PRO 49 18.942 -4.262 6.795 363 HG2 PRO 49 1HG PRO 49 20.649 -4.052 4.390 364 HG3 PRO 49 2HG PRO 49 21.061 -4.667 5.978 365 HD2 PRO 49 1HD PRO 49 20.509 -6.216 3.627 366 HD3 PRO 49 2HD PRO 49 20.807 -6.830 5.241 367 H LEU 50 H LEU 50 15.384 -5.172 4.955 368 HA LEU 50 HA LEU 50 14.904 -5.175 2.326 369 HB2 LEU 50 1HB LEU 50 13.577 -3.462 4.430 370 HB3 LEU 50 2HB LEU 50 12.925 -3.746 2.828 371 HG LEU 50 HG LEU 50 13.541 -6.016 4.724 372 HD11 LEU 50 1HD1 LEU 50 12.028 -4.920 6.056 373 HD12 LEU 50 2HD1 LEU 50 11.181 -4.174 4.679 374 HD13 LEU 50 3HD1 LEU 50 10.936 -5.899 5.046 375 HD21 LEU 50 1HD2 LEU 50 13.100 -6.233 2.141 376 HD22 LEU 50 2HD2 LEU 50 12.372 -7.377 3.294 377 HD23 LEU 50 3HD2 LEU 50 11.400 -6.042 2.631 378 H ILE 51 H ILE 51 14.813 -3.696 0.581 379 HA ILE 51 HA ILE 51 16.609 -1.423 0.963 380 HB ILE 51 HB ILE 51 15.880 -3.185 -1.331 381 HG12 ILE 51 1HG1 ILE 51 18.447 -2.135 -0.123 382 HG13 ILE 51 2HG1 ILE 51 17.851 -3.783 -0.121 383 HG21 ILE 51 1HG2 ILE 51 16.825 -0.322 -1.571 384 HG22 ILE 51 2HG2 ILE 51 17.021 -1.536 -2.857 385 HG23 ILE 51 3HG2 ILE 51 15.391 -1.076 -2.309 386 HD11 ILE 51 1HD1 ILE 51 17.933 -3.659 -2.708 387 HD12 ILE 51 2HD1 ILE 51 18.889 -2.174 -2.484 388 HD13 ILE 51 3HD1 ILE 51 19.493 -3.725 -1.853 389 H ARG 52 H ARG 52 13.490 -2.304 -0.680 390 HA ARG 52 HA ARG 52 12.322 0.069 0.285 391 HB2 ARG 52 1HB ARG 52 11.927 1.211 -1.839 392 HB3 ARG 52 2HB ARG 52 13.653 0.950 -1.679 393 HG2 ARG 52 1HG ARG 52 13.617 -0.920 -3.213 394 HG3 ARG 52 2HG ARG 52 11.868 -1.023 -3.163 395 HD2 ARG 52 1HD ARG 52 11.984 0.202 -5.104 396 HD3 ARG 52 2HD ARG 52 12.148 1.567 -4.017 397 HE ARG 52 HE ARG 52 14.754 0.566 -4.345 398 HH11 ARG 52 2HH2 ARG 52 12.241 1.875 -6.432 399 HH12 ARG 52 1HH2 ARG 52 13.359 2.513 -7.592 400 HH21 ARG 52 2HH1 ARG 52 16.229 1.407 -5.875 401 HH22 ARG 52 1HH1 ARG 52 15.642 2.244 -7.273 402 H TYR 53 H TYR 53 10.120 0.320 -1.427 403 HA TYR 53 HA TYR 53 9.128 -2.394 -1.859 404 HB2 TYR 53 1HB TYR 53 8.132 -0.163 -0.019 405 HB3 TYR 53 2HB TYR 53 6.957 -1.259 -0.717 406 HD1 TYR 53 2HD TYR 53 10.167 -1.319 1.223 407 HD2 TYR 53 1HD TYR 53 6.421 -3.223 0.419 408 HE1 TYR 53 2HE TYR 53 10.609 -2.990 3.087 409 HE2 TYR 53 1HE TYR 53 6.876 -4.888 2.286 410 HH TYR 53 HH TYR 53 9.057 -4.416 4.629 411 H ILE 54 H ILE 54 7.372 -2.521 -3.374 412 HA ILE 54 HA ILE 54 7.100 -0.058 -4.949 413 HB ILE 54 HB ILE 54 6.960 -2.958 -5.774 414 HG12 ILE 54 1HG1 ILE 54 8.950 -0.784 -6.489 415 HG13 ILE 54 2HG1 ILE 54 9.234 -2.076 -5.339 416 HG21 ILE 54 1HG2 ILE 54 6.437 -2.291 -7.969 417 HG22 ILE 54 2HG2 ILE 54 5.317 -1.386 -6.923 418 HG23 ILE 54 3HG2 ILE 54 6.742 -0.574 -7.613 419 HD11 ILE 54 1HD1 ILE 54 8.372 -3.535 -7.499 420 HD12 ILE 54 2HD1 ILE 54 9.167 -2.167 -8.314 421 HD13 ILE 54 3HD1 ILE 54 10.082 -3.172 -7.165 422 H LEU 55 H LEU 55 5.248 0.976 -4.410 423 HA LEU 55 HA LEU 55 2.995 -0.591 -3.499 424 HB2 LEU 55 1HB LEU 55 3.932 1.678 -2.588 425 HB3 LEU 55 2HB LEU 55 2.983 2.379 -3.884 426 HG LEU 55 HG LEU 55 2.085 1.000 -1.391 427 HD11 LEU 55 1HD1 LEU 55 0.532 3.165 -2.697 428 HD12 LEU 55 2HD1 LEU 55 0.951 2.913 -0.986 429 HD13 LEU 55 3HD1 LEU 55 2.157 3.589 -2.107 430 HD21 LEU 55 1HD2 LEU 55 1.059 -0.410 -3.055 431 HD22 LEU 55 2HD2 LEU 55 -0.178 0.658 -2.349 432 HD23 LEU 55 3HD2 LEU 55 0.485 1.009 -3.964 433 H GLU 56 H GLU 56 1.526 -1.428 -4.869 434 HA GLU 56 HA GLU 56 1.247 -0.055 -7.428 435 HB2 GLU 56 1HB GLU 56 1.338 -2.950 -6.673 436 HB3 GLU 56 2HB GLU 56 0.203 -2.518 -7.936 437 HG2 GLU 56 1HG GLU 56 2.092 -1.312 -9.138 438 HG3 GLU 56 2HG GLU 56 3.198 -1.916 -7.920 439 H MET 57 H MET 57 -0.738 0.814 -7.914 440 HA MET 57 HA MET 57 -2.900 0.065 -6.104 441 HB2 MET 57 1HB MET 57 -2.235 2.446 -5.951 442 HB3 MET 57 2HB MET 57 -2.332 2.627 -7.691 443 HG2 MET 57 1HG MET 57 -4.783 2.196 -7.623 444 HG3 MET 57 2HG MET 57 -4.707 1.937 -5.892 445 HE1 MET 57 1HE MET 57 -3.514 4.072 -8.644 446 HE2 MET 57 2HE MET 57 -4.970 5.094 -8.601 447 HE3 MET 57 3HE MET 57 -3.417 5.733 -8.012 448 H SER 58 H SER 58 -4.954 -0.484 -6.948 449 HA SER 58 HA SER 58 -5.036 -0.629 -9.859 450 HB2 SER 58 1HB SER 58 -4.777 -2.891 -9.274 451 HB3 SER 58 2HB SER 58 -5.683 -2.722 -7.784 452 HG SER 58 HG SER 58 -6.884 -2.478 -10.406 453 H GLU 59 H GLU 59 -6.431 1.074 -10.320 454 HA GLU 59 HA GLU 59 -8.513 1.782 -8.590 455 HB2 GLU 59 1HB GLU 59 -7.223 3.105 -10.521 456 HB3 GLU 59 2HB GLU 59 -8.549 2.530 -11.512 457 HG2 GLU 59 1HG GLU 59 -9.925 3.433 -9.298 458 HG3 GLU 59 2HG GLU 59 -8.563 4.535 -9.301 459 H ASN 60 H ASN 60 -10.662 2.229 -10.542 460 HA ASN 60 HA ASN 60 -12.071 -0.089 -10.156 461 HB2 ASN 60 1HB ASN 60 -12.404 2.443 -11.668 462 HB3 ASN 60 2HB ASN 60 -13.260 1.104 -12.406 463 HD21 ASN 60 1HD2 ASN 60 -13.456 3.539 -10.210 464 HD22 ASN 60 2HD2 ASN 60 -14.750 2.983 -9.201 465 H ASN 61 H ASN 61 -11.129 -2.017 -10.989 466 HA ASN 61 HA ASN 61 -10.510 -3.515 -12.427 467 HB2 ASN 61 1HB ASN 61 -12.345 -1.793 -14.064 468 HB3 ASN 61 2HB ASN 61 -11.310 -2.867 -14.984 469 HD21 ASN 61 1HD2 ASN 61 -13.601 -3.602 -15.468 470 HD22 ASN 61 2HD2 ASN 61 -14.235 -4.901 -14.513 471 H ALA 62 H ALA 62 -8.975 -0.835 -12.035 472 HA ALA 62 HA ALA 62 -7.615 -0.485 -14.554 473 HB1 ALA 62 1HB ALA 62 -6.207 1.030 -12.869 474 HB2 ALA 62 2HB ALA 62 -7.806 1.542 -13.461 475 HB3 ALA 62 3HB ALA 62 -7.646 0.810 -11.846 476 HA PRO 63 HA PRO 63 -4.427 -3.279 -13.688 477 HB2 PRO 63 1HB PRO 63 -2.444 -2.330 -15.312 478 HB3 PRO 63 2HB PRO 63 -3.768 -3.320 -15.894 479 HG2 PRO 63 1HG PRO 63 -3.348 -0.412 -16.216 480 HG3 PRO 63 2HG PRO 63 -4.404 -1.475 -17.124 481 HD2 PRO 63 1HD PRO 63 -5.181 0.372 -15.072 482 HD3 PRO 63 2HD PRO 63 -6.218 -0.774 -15.898 483 H TRP 64 H TRP 64 -2.764 -3.737 -12.294 484 HA TRP 64 HA TRP 64 -2.280 -1.983 -10.291 485 HB2 TRP 64 1HB TRP 64 -0.498 -4.146 -11.416 486 HB3 TRP 64 2HB TRP 64 -0.158 -3.293 -9.923 487 HD1 TRP 64 HD TRP 64 -1.653 -6.427 -10.931 488 HE1 TRP 64 1HE TRP 64 -3.317 -7.480 -9.175 489 HE3 TRP 64 3HE TRP 64 -2.264 -2.192 -8.185 490 HZ2 TRP 64 2HZ TRP 64 -4.672 -6.447 -6.885 491 HZ3 TRP 64 3HZ TRP 64 -3.775 -2.299 -6.205 492 HH2 TRP 64 HH TRP 64 -4.957 -4.333 -5.541 493 H THR 65 H THR 65 -1.371 0.026 -10.236 494 HA THR 65 HA THR 65 0.694 0.610 -12.257 495 HB THR 65 HB THR 65 -1.769 1.692 -12.323 496 HG1 THR 65 1HG THR 65 0.120 2.228 -13.658 497 HG21 THR 65 1HG2 THR 65 -1.514 2.599 -9.928 498 HG22 THR 65 2HG2 THR 65 -0.197 3.623 -10.547 499 HG23 THR 65 3HG2 THR 65 -1.852 3.833 -11.165 500 H VAL 66 H VAL 66 2.641 0.674 -11.336 501 HA VAL 66 HA VAL 66 3.078 0.835 -8.617 502 HB VAL 66 HB VAL 66 4.869 1.614 -10.927 503 HG11 VAL 66 1HG1 VAL 66 5.794 2.507 -8.888 504 HG12 VAL 66 2HG1 VAL 66 5.522 0.969 -8.033 505 HG13 VAL 66 3HG1 VAL 66 6.725 1.059 -9.342 506 HG21 VAL 66 1HG2 VAL 66 5.468 -0.594 -11.163 507 HG22 VAL 66 2HG2 VAL 66 5.053 -1.005 -9.482 508 HG23 VAL 66 3HG2 VAL 66 3.763 -0.782 -10.688 509 H LEU 67 H LEU 67 2.566 2.445 -7.232 510 HA LEU 67 HA LEU 67 2.331 5.135 -8.273 511 HB2 LEU 67 1HB LEU 67 1.895 4.374 -5.413 512 HB3 LEU 67 2HB LEU 67 1.125 5.627 -6.366 513 HG LEU 67 HG LEU 67 0.566 2.965 -7.427 514 HD11 LEU 67 1HD1 LEU 67 -0.356 1.860 -5.685 515 HD12 LEU 67 2HD1 LEU 67 0.838 2.799 -4.756 516 HD13 LEU 67 3HD1 LEU 67 -0.851 3.352 -4.850 517 HD21 LEU 67 1HD2 LEU 67 -1.771 4.281 -6.509 518 HD22 LEU 67 2HD2 LEU 67 -0.680 5.529 -7.156 519 HD23 LEU 67 3HD2 LEU 67 -1.153 4.148 -8.173 520 H LEU 68 H LEU 68 3.956 3.612 -5.394 521 HA LEU 68 HA LEU 68 6.015 5.683 -5.682 522 HB2 LEU 68 1HB LEU 68 4.448 4.931 -3.491 523 HB3 LEU 68 2HB LEU 68 6.026 4.241 -3.170 524 HG LEU 68 HG LEU 68 5.392 7.156 -3.693 525 HD11 LEU 68 1HD1 LEU 68 5.114 7.315 -1.501 526 HD12 LEU 68 2HD1 LEU 68 5.423 5.571 -1.316 527 HD13 LEU 68 3HD1 LEU 68 6.775 6.727 -1.248 528 HD21 LEU 68 1HD2 LEU 68 7.866 7.445 -3.060 529 HD22 LEU 68 2HD2 LEU 68 8.036 5.724 -3.484 530 HD23 LEU 68 3HD2 LEU 68 7.480 6.891 -4.708 531 H ALA 69 H ALA 69 7.755 4.951 -6.779 532 HA ALA 69 HA ALA 69 8.314 2.131 -6.836 533 HB1 ALA 69 1HB ALA 69 8.877 4.479 -8.414 534 HB2 ALA 69 2HB ALA 69 10.407 3.661 -8.017 535 HB3 ALA 69 3HB ALA 69 9.106 2.766 -8.838 536 H SER 70 H SER 70 9.656 5.132 -5.376 537 HA SER 70 HA SER 70 11.664 3.477 -4.085 538 HB2 SER 70 1HB SER 70 12.989 5.228 -4.628 539 HB3 SER 70 2HB SER 70 11.613 6.196 -5.116 540 HG SER 70 HG SER 70 13.138 6.623 -3.009 541 H VAL 71 H VAL 71 10.690 2.556 -2.273 542 HA VAL 71 HA VAL 71 9.373 4.449 -0.450 543 HB VAL 71 HB VAL 71 8.691 1.638 -1.255 544 HG11 VAL 71 1HG1 VAL 71 8.842 1.521 1.163 545 HG12 VAL 71 2HG1 VAL 71 7.877 3.007 1.331 546 HG13 VAL 71 3HG1 VAL 71 7.129 1.529 0.679 547 HG21 VAL 71 1HG2 VAL 71 6.631 3.700 -0.669 548 HG22 VAL 71 2HG2 VAL 71 7.681 4.007 -2.073 549 HG23 VAL 71 3HG2 VAL 71 6.725 2.508 -1.988 550 H ASP 72 H ASP 72 9.753 4.100 1.835 551 HA ASP 72 HA ASP 72 12.405 3.368 2.323 552 HB2 ASP 72 1HB ASP 72 10.182 4.584 3.743 553 HB3 ASP 72 2HB ASP 72 10.907 3.367 4.774 554 HA PRO 73 HA PRO 73 11.684 -0.876 3.206 555 HB2 PRO 73 1HB PRO 73 14.037 -1.514 4.440 556 HB3 PRO 73 2HB PRO 73 13.860 -1.431 2.699 557 HG2 PRO 73 1HG PRO 73 15.174 0.490 4.521 558 HG3 PRO 73 2HG PRO 73 15.348 0.329 2.785 559 HD2 PRO 73 1HD PRO 73 13.832 2.325 4.180 560 HD3 PRO 73 2HD PRO 73 13.913 2.093 2.445 561 H LYS 74 H LYS 74 12.491 1.341 5.727 562 HA LYS 74 HA LYS 74 11.504 -0.549 7.707 563 HB2 LYS 74 1HB LYS 74 13.139 1.943 7.747 564 HB3 LYS 74 2HB LYS 74 12.129 1.634 9.145 565 HG2 LYS 74 1HG LYS 74 13.365 -0.192 9.809 566 HG3 LYS 74 2HG LYS 74 13.622 -0.751 8.168 567 HD2 LYS 74 1HD LYS 74 15.770 -0.048 9.101 568 HD3 LYS 74 2HD LYS 74 15.320 1.066 7.826 569 HE2 LYS 74 1HE LYS 74 15.726 2.700 9.372 570 HE3 LYS 74 2HE LYS 74 14.148 2.284 10.012 571 HZ1 LYS 74 1HZ LYS 74 15.137 0.865 11.580 572 HZ2 LYS 74 2HZ LYS 74 16.607 0.936 10.873 573 HZ3 LYS 74 3HZ LYS 74 16.002 2.249 11.632 574 H ALA 75 H ALA 75 9.909 0.923 5.464 575 HA ALA 75 HA ALA 75 8.035 2.332 7.226 576 HB1 ALA 75 1HB ALA 75 7.117 3.012 4.864 577 HB2 ALA 75 2HB ALA 75 8.606 3.775 5.473 578 HB3 ALA 75 3HB ALA 75 8.705 2.454 4.284 579 H THR 76 H THR 76 6.012 1.506 7.613 580 HA THR 76 HA THR 76 5.288 -0.905 6.080 581 HB THR 76 HB THR 76 4.108 -1.433 8.402 582 HG1 THR 76 1HG THR 76 4.587 0.408 9.603 583 HG21 THR 76 1HG2 THR 76 6.735 -2.031 7.368 584 HG22 THR 76 2HG2 THR 76 6.906 -1.671 9.103 585 HG23 THR 76 3HG2 THR 76 5.799 -2.958 8.566 586 H SER 77 H SER 77 4.645 2.297 6.384 587 HA SER 77 HA SER 77 1.919 1.816 5.574 588 HB2 SER 77 1HB SER 77 1.250 3.879 7.019 589 HB3 SER 77 2HB SER 77 1.417 2.327 7.815 590 HG SER 77 HG SER 77 3.814 3.184 8.070 591 H VAL 78 H VAL 78 1.120 3.456 4.120 592 HA VAL 78 HA VAL 78 2.888 5.696 3.580 593 HB VAL 78 HB VAL 78 3.659 3.761 2.202 594 HG11 VAL 78 1HG1 VAL 78 2.350 2.835 0.470 595 HG12 VAL 78 2HG1 VAL 78 1.278 2.864 1.891 596 HG13 VAL 78 3HG1 VAL 78 1.104 4.097 0.619 597 HG21 VAL 78 1HG2 VAL 78 2.616 5.661 0.182 598 HG22 VAL 78 2HG2 VAL 78 3.478 6.396 1.555 599 HG23 VAL 78 3HG2 VAL 78 4.288 5.172 0.549 600 H THR 79 H THR 79 1.812 7.352 2.220 601 HA THR 79 HA THR 79 -1.113 7.126 2.481 602 HB THR 79 HB THR 79 0.711 9.589 2.487 603 HG1 THR 79 1HG THR 79 0.320 9.405 4.768 604 HG21 THR 79 1HG2 THR 79 -1.574 10.198 1.791 605 HG22 THR 79 2HG2 THR 79 -2.268 9.182 3.077 606 HG23 THR 79 3HG2 THR 79 -1.362 10.655 3.499 607 H VAL 80 H VAL 80 -2.430 7.442 0.745 608 HA VAL 80 HA VAL 80 -1.014 7.883 -1.791 609 HB VAL 80 HB VAL 80 -3.575 6.389 -1.191 610 HG11 VAL 80 1HG1 VAL 80 -2.125 6.403 -3.838 611 HG12 VAL 80 2HG1 VAL 80 -3.795 5.907 -3.473 612 HG13 VAL 80 3HG1 VAL 80 -3.352 7.631 -3.449 613 HG21 VAL 80 1HG2 VAL 80 -1.534 4.795 -2.436 614 HG22 VAL 80 2HG2 VAL 80 -0.860 5.579 -0.987 615 HG23 VAL 80 3HG2 VAL 80 -2.324 4.575 -0.856 616 H LYS 81 H LYS 81 -1.138 10.074 -2.140 617 HA LYS 81 HA LYS 81 -3.718 11.350 -1.649 618 HB2 LYS 81 1HB LYS 81 -1.110 12.698 -2.374 619 HB3 LYS 81 2HB LYS 81 -2.544 13.424 -1.677 620 HG2 LYS 81 1HG LYS 81 -2.155 12.498 0.452 621 HG3 LYS 81 2HG LYS 81 -1.223 11.156 -0.181 622 HD2 LYS 81 1HD LYS 81 0.440 13.119 -0.959 623 HD3 LYS 81 2HD LYS 81 -0.350 14.000 0.334 624 HE2 LYS 81 1HE LYS 81 0.450 11.233 1.079 625 HE3 LYS 81 2HE LYS 81 1.799 12.274 0.668 626 HZ1 LYS 81 1HZ LYS 81 0.286 12.283 2.988 627 HZ2 LYS 81 2HZ LYS 81 1.565 13.228 2.619 628 HZ3 LYS 81 3HZ LYS 81 0.052 13.724 2.255 629 H GLY 82 H GLY 82 -4.742 12.643 -3.310 630 HA2 GLY 82 1HA GLY 82 -5.200 13.269 -5.454 631 HA3 GLY 82 2HA GLY 82 -3.744 12.471 -6.015 632 H LEU 83 H LEU 83 -6.992 11.689 -4.582 633 HA LEU 83 HA LEU 83 -7.059 9.382 -6.402 634 HB2 LEU 83 1HB LEU 83 -8.094 9.637 -3.579 635 HB3 LEU 83 2HB LEU 83 -8.554 8.342 -4.666 636 HG LEU 83 HG LEU 83 -5.824 8.914 -3.506 637 HD11 LEU 83 1HD1 LEU 83 -6.034 6.615 -2.643 638 HD12 LEU 83 2HD1 LEU 83 -7.327 7.685 -2.052 639 HD13 LEU 83 3HD1 LEU 83 -7.665 6.512 -3.347 640 HD21 LEU 83 1HD2 LEU 83 -5.303 6.699 -4.862 641 HD22 LEU 83 2HD2 LEU 83 -6.554 7.354 -5.945 642 HD23 LEU 83 3HD2 LEU 83 -5.098 8.313 -5.585 643 H VAL 84 H VAL 84 -9.260 8.789 -7.160 644 HA VAL 84 HA VAL 84 -10.723 11.215 -7.745 645 HB VAL 84 HB VAL 84 -10.791 8.371 -8.738 646 HG11 VAL 84 1HG1 VAL 84 -13.119 9.252 -8.578 647 HG12 VAL 84 2HG1 VAL 84 -12.641 10.609 -9.626 648 HG13 VAL 84 3HG1 VAL 84 -12.591 8.943 -10.250 649 HG21 VAL 84 1HG2 VAL 84 -9.083 10.247 -9.457 650 HG22 VAL 84 2HG2 VAL 84 -9.812 9.167 -10.670 651 HG23 VAL 84 3HG2 VAL 84 -10.449 10.815 -10.448 652 HA PRO 85 HA PRO 85 -13.697 10.416 -4.694 653 HB2 PRO 85 1HB PRO 85 -15.570 12.269 -5.421 654 HB3 PRO 85 2HB PRO 85 -14.155 12.660 -4.464 655 HG2 PRO 85 1HG PRO 85 -14.679 13.233 -7.316 656 HG3 PRO 85 2HG PRO 85 -13.498 13.966 -6.248 657 HD2 PRO 85 1HD PRO 85 -12.993 11.998 -8.274 658 HD3 PRO 85 2HD PRO 85 -11.835 12.646 -7.129 659 H ALA 86 H ALA 86 -15.391 9.074 -4.260 660 HA ALA 86 HA ALA 86 -16.989 7.616 -4.722 661 HB1 ALA 86 1HB ALA 86 -17.991 9.796 -5.713 662 HB2 ALA 86 2HB ALA 86 -17.590 9.091 -7.297 663 HB3 ALA 86 3HB ALA 86 -18.712 8.245 -6.206 664 H ARG 87 H ARG 87 -14.440 6.790 -5.304 665 HA ARG 87 HA ARG 87 -14.993 5.050 -7.524 666 HB2 ARG 87 1HB ARG 87 -12.799 7.108 -7.463 667 HB3 ARG 87 2HB ARG 87 -12.362 5.529 -8.084 668 HG2 ARG 87 1HG ARG 87 -14.644 5.818 -9.474 669 HG3 ARG 87 2HG ARG 87 -14.347 7.520 -9.184 670 HD2 ARG 87 1HD ARG 87 -11.927 7.066 -10.057 671 HD3 ARG 87 2HD ARG 87 -12.554 5.539 -10.645 672 HE ARG 87 HE ARG 87 -14.307 7.651 -11.490 673 HH11 ARG 87 2HH2 ARG 87 -11.099 6.355 -12.135 674 HH12 ARG 87 1HH2 ARG 87 -11.062 6.918 -13.773 675 HH21 ARG 87 2HH1 ARG 87 -14.258 8.394 -13.650 676 HH22 ARG 87 1HH1 ARG 87 -12.870 8.086 -14.640 677 H SER 88 H SER 88 -13.778 3.030 -7.392 678 HA SER 88 HA SER 88 -12.930 2.500 -4.717 679 HB2 SER 88 1HB SER 88 -14.176 0.714 -5.542 680 HB3 SER 88 2HB SER 88 -13.553 0.882 -7.171 681 HG SER 88 HG SER 88 -11.560 -0.065 -6.505 682 H TYR 89 H TYR 89 -10.809 1.638 -4.132 683 HA TYR 89 HA TYR 89 -8.743 1.838 -6.175 684 HB2 TYR 89 1HB TYR 89 -9.172 3.501 -3.653 685 HB3 TYR 89 2HB TYR 89 -7.522 3.126 -4.110 686 HD1 TYR 89 2HD TYR 89 -6.926 3.656 -6.658 687 HD2 TYR 89 1HD TYR 89 -10.136 5.453 -4.473 688 HE1 TYR 89 2HE TYR 89 -6.931 5.622 -8.269 689 HE2 TYR 89 1HE TYR 89 -10.130 7.413 -6.092 690 HH TYR 89 HH TYR 89 -8.222 7.339 -9.006 691 H GLN 90 H GLN 90 -7.373 0.132 -6.004 692 HA GLN 90 HA GLN 90 -7.326 -1.190 -3.403 693 HB2 GLN 90 1HB GLN 90 -7.426 -2.249 -6.213 694 HB3 GLN 90 2HB GLN 90 -6.502 -3.170 -5.044 695 HG2 GLN 90 1HG GLN 90 -8.566 -3.045 -3.499 696 HG3 GLN 90 2HG GLN 90 -9.449 -2.407 -4.872 697 HE21 GLN 90 1HE2 GLN 90 -9.946 -4.833 -3.461 698 HE22 GLN 90 2HE2 GLN 90 -9.784 -6.159 -4.564 699 H PHE 91 H PHE 91 -5.323 -1.639 -2.456 700 HA PHE 91 HA PHE 91 -2.999 -0.756 -4.020 701 HB2 PHE 91 1HB PHE 91 -3.631 -0.653 -1.008 702 HB3 PHE 91 2HB PHE 91 -2.105 -0.138 -1.700 703 HD1 PHE 91 1HD PHE 91 -2.263 1.732 -3.526 704 HD2 PHE 91 2HD PHE 91 -5.318 0.907 -0.698 705 HE1 PHE 91 1HE PHE 91 -3.191 4.041 -3.855 706 HE2 PHE 91 2HE PHE 91 -6.246 3.216 -1.027 707 HZ PHE 91 HZ PHE 91 -5.171 4.756 -2.601 708 H ARG 92 H ARG 92 -0.909 -1.803 -3.383 709 HA ARG 92 HA ARG 92 -0.853 -4.003 -1.729 710 HB2 ARG 92 1HB ARG 92 -0.651 -5.837 -3.463 711 HB3 ARG 92 2HB ARG 92 -2.267 -5.168 -3.345 712 HG2 ARG 92 1HG ARG 92 -2.220 -4.522 -5.519 713 HG3 ARG 92 2HG ARG 92 -0.752 -3.599 -5.259 714 HD2 ARG 92 1HD ARG 92 0.166 -5.133 -6.706 715 HD3 ARG 92 2HD ARG 92 0.306 -6.122 -5.267 716 HE ARG 92 HE ARG 92 -2.305 -6.534 -6.311 717 HH11 ARG 92 2HH2 ARG 92 1.035 -7.134 -7.243 718 HH12 ARG 92 1HH2 ARG 92 0.651 -8.522 -8.205 719 HH21 ARG 92 2HH1 ARG 92 -2.812 -8.366 -7.581 720 HH22 ARG 92 1HH1 ARG 92 -1.551 -9.227 -8.399 721 H LEU 93 H LEU 93 1.293 -3.922 -1.142 722 HA LEU 93 HA LEU 93 3.218 -3.280 -3.267 723 HB2 LEU 93 1HB LEU 93 4.574 -2.188 -1.601 724 HB3 LEU 93 2HB LEU 93 2.983 -1.459 -1.692 725 HG LEU 93 HG LEU 93 3.523 -3.552 0.393 726 HD11 LEU 93 1HD1 LEU 93 3.963 -0.810 1.323 727 HD12 LEU 93 2HD1 LEU 93 4.868 -2.303 1.666 728 HD13 LEU 93 3HD1 LEU 93 5.202 -1.381 0.180 729 HD21 LEU 93 1HD2 LEU 93 1.973 -1.214 1.155 730 HD22 LEU 93 2HD2 LEU 93 1.315 -2.004 -0.297 731 HD23 LEU 93 3HD2 LEU 93 1.543 -2.941 1.199 732 H CYS 94 H CYS 94 5.488 -4.166 -2.743 733 HA CYS 94 HA CYS 94 5.206 -6.754 -1.404 734 HB2 CYS 94 1HB CYS 94 6.700 -7.735 -3.143 735 HB3 CYS 94 2HB CYS 94 5.128 -7.256 -3.751 736 HG CYS 94 HG CYS 94 7.170 -4.806 -3.708 737 H ALA 95 H ALA 95 7.670 -7.655 -1.147 738 HA ALA 95 HA ALA 95 9.111 -5.440 0.101 739 HB1 ALA 95 1HB ALA 95 10.358 -7.404 1.180 740 HB2 ALA 95 2HB ALA 95 8.645 -7.211 1.626 741 HB3 ALA 95 3HB ALA 95 9.123 -8.456 0.446 742 H VAL 96 H VAL 96 11.033 -4.703 -0.700 743 HA VAL 96 HA VAL 96 12.316 -6.369 -2.749 744 HB VAL 96 HB VAL 96 11.747 -3.403 -2.789 745 HG11 VAL 96 1HG1 VAL 96 13.737 -3.191 -3.815 746 HG12 VAL 96 2HG1 VAL 96 13.905 -4.946 -4.062 747 HG13 VAL 96 3HG1 VAL 96 12.941 -3.975 -5.201 748 HG21 VAL 96 1HG2 VAL 96 9.974 -5.071 -3.549 749 HG22 VAL 96 2HG2 VAL 96 10.449 -3.824 -4.727 750 HG23 VAL 96 3HG2 VAL 96 11.076 -5.482 -4.885 751 H ASN 97 H ASN 97 14.338 -6.925 -2.144 752 HA ASN 97 HA ASN 97 15.761 -4.990 -0.501 753 HB2 ASN 97 1HB ASN 97 16.776 -6.958 0.744 754 HB3 ASN 97 2HB ASN 97 15.056 -6.770 1.025 755 HD21 ASN 97 1HD2 ASN 97 15.965 -9.122 1.626 756 HD22 ASN 97 2HD2 ASN 97 15.580 -10.344 0.460 757 H ASP 98 H ASP 98 18.266 -5.764 -0.464 758 HA ASP 98 HA ASP 98 19.360 -5.462 -2.825 759 HB2 ASP 98 1HB ASP 98 20.524 -5.773 -0.578 760 HB3 ASP 98 2HB ASP 98 20.393 -7.506 -0.805 761 H VAL 99 H VAL 99 18.168 -8.571 -1.420 762 HA VAL 99 HA VAL 99 19.144 -10.333 -3.293 763 HB VAL 99 HB VAL 99 16.459 -10.438 -1.908 764 HG11 VAL 99 1HG1 VAL 99 18.310 -12.610 -2.946 765 HG12 VAL 99 2HG1 VAL 99 16.857 -12.896 -1.958 766 HG13 VAL 99 3HG1 VAL 99 16.704 -12.176 -3.579 767 HG21 VAL 99 1HG2 VAL 99 18.058 -11.885 -0.294 768 HG22 VAL 99 2HG2 VAL 99 19.235 -10.677 -0.863 769 HG23 VAL 99 3HG2 VAL 99 17.741 -10.150 -0.051 770 H GLY 100 H GLY 100 15.792 -8.913 -3.258 771 HA2 GLY 100 1HA GLY 100 15.657 -7.902 -5.763 772 HA3 GLY 100 2HA GLY 100 15.424 -9.618 -6.032 773 H LYS 101 H LYS 101 13.276 -8.351 -6.793 774 HA LYS 101 HA LYS 101 11.489 -7.617 -4.724 775 HB2 LYS 101 1HB LYS 101 11.495 -6.842 -7.151 776 HB3 LYS 101 2HB LYS 101 10.785 -8.390 -7.564 777 HG2 LYS 101 1HG LYS 101 8.736 -7.810 -6.732 778 HG3 LYS 101 2HG LYS 101 9.421 -7.109 -5.279 779 HD2 LYS 101 1HD LYS 101 8.248 -5.418 -6.726 780 HD3 LYS 101 2HD LYS 101 9.928 -5.018 -6.431 781 HE2 LYS 101 1HE LYS 101 9.072 -4.808 -8.873 782 HE3 LYS 101 2HE LYS 101 10.600 -5.631 -8.630 783 HZ1 LYS 101 1HZ LYS 101 8.636 -6.677 -9.995 784 HZ2 LYS 101 2HZ LYS 101 9.697 -7.600 -9.166 785 HZ3 LYS 101 3HZ LYS 101 8.229 -7.273 -8.530 786 H GLY 102 H GLY 102 9.881 -8.784 -3.681 787 HA2 GLY 102 1HA GLY 102 10.094 -11.703 -3.986 788 HA3 GLY 102 2HA GLY 102 9.511 -10.833 -2.580 789 H GLN 103 H GLN 103 7.323 -10.700 -2.295 790 HA GLN 103 HA GLN 103 5.701 -10.885 -4.706 791 HB2 GLN 103 1HB GLN 103 4.056 -12.251 -3.261 792 HB3 GLN 103 2HB GLN 103 5.499 -13.075 -3.817 793 HG2 GLN 103 1HG GLN 103 6.482 -13.105 -1.693 794 HG3 GLN 103 2HG GLN 103 5.654 -11.653 -1.166 795 HE21 GLN 103 1HE2 GLN 103 5.893 -14.192 0.174 796 HE22 GLN 103 2HE2 GLN 103 4.297 -14.807 0.449 797 H PHE 104 H PHE 104 3.436 -10.014 -4.382 798 HA PHE 104 HA PHE 104 3.591 -7.727 -2.580 799 HB2 PHE 104 1HB PHE 104 1.793 -8.552 -4.937 800 HB3 PHE 104 2HB PHE 104 1.570 -7.055 -4.054 801 HD1 PHE 104 2HD PHE 104 4.165 -8.911 -5.982 802 HD2 PHE 104 1HD PHE 104 2.647 -5.134 -4.783 803 HE1 PHE 104 2HE PHE 104 5.805 -7.770 -7.501 804 HE2 PHE 104 1HE PHE 104 4.287 -3.993 -6.302 805 HZ PHE 104 HZ PHE 104 5.846 -5.324 -7.643 806 H SER 105 H SER 105 1.662 -7.092 -1.321 807 HA SER 105 HA SER 105 0.549 -9.393 -0.084 808 HB2 SER 105 1HB SER 105 -0.727 -7.472 1.212 809 HB3 SER 105 2HB SER 105 0.984 -7.731 1.486 810 HG SER 105 HG SER 105 -0.336 -5.579 0.235 811 H LYS 106 H LYS 106 -1.858 -9.647 0.272 812 HA LYS 106 HA LYS 106 -3.214 -9.634 -2.163 813 HB2 LYS 106 1HB LYS 106 -3.863 -10.252 0.679 814 HB3 LYS 106 2HB LYS 106 -5.215 -9.957 -0.396 815 HG2 LYS 106 1HG LYS 106 -4.656 -12.354 -0.402 816 HG3 LYS 106 2HG LYS 106 -4.344 -11.670 -1.985 817 HD2 LYS 106 1HD LYS 106 -2.417 -12.995 -1.516 818 HD3 LYS 106 2HD LYS 106 -1.898 -11.347 -1.224 819 HE2 LYS 106 1HE LYS 106 -1.839 -11.621 1.105 820 HE3 LYS 106 2HE LYS 106 -3.066 -12.872 1.101 821 HZ1 LYS 106 1HZ LYS 106 -1.041 -13.922 1.501 822 HZ2 LYS 106 2HZ LYS 106 -1.374 -14.272 -0.059 823 HZ3 LYS 106 3HZ LYS 106 -0.260 -13.134 0.303 824 H ASP 107 H ASP 107 -5.323 -8.503 -2.625 825 HA ASP 107 HA ASP 107 -4.889 -5.767 -2.531 826 HB2 ASP 107 1HB ASP 107 -7.378 -5.717 -3.292 827 HB3 ASP 107 2HB ASP 107 -6.223 -6.537 -4.324 828 H THR 108 H THR 108 -5.106 -4.506 -0.675 829 HA THR 108 HA THR 108 -6.278 -5.317 1.679 830 HB THR 108 HB THR 108 -6.033 -2.944 2.295 831 HG1 THR 108 1HG THR 108 -5.908 -2.748 -0.631 832 HG21 THR 108 1HG2 THR 108 -3.883 -2.789 0.320 833 HG22 THR 108 2HG2 THR 108 -3.758 -2.991 2.084 834 HG23 THR 108 3HG2 THR 108 -3.942 -4.418 1.035 835 H GLU 109 H GLU 109 -8.120 -3.729 2.712 836 HA GLU 109 HA GLU 109 -10.453 -4.723 1.587 837 HB2 GLU 109 1HB GLU 109 -10.932 -4.276 3.762 838 HB3 GLU 109 2HB GLU 109 -9.673 -3.064 3.883 839 HG2 GLU 109 1HG GLU 109 -11.093 -1.334 3.007 840 HG3 GLU 109 2HG GLU 109 -12.263 -2.487 2.396 841 H ARG 110 H ARG 110 -11.625 -4.032 -0.149 842 HA ARG 110 HA ARG 110 -10.944 -2.199 -1.872 843 HB2 ARG 110 1HB ARG 110 -13.072 -3.767 -1.733 844 HB3 ARG 110 2HB ARG 110 -13.883 -2.346 -1.105 845 HG2 ARG 110 1HG ARG 110 -12.864 -1.121 -3.208 846 HG3 ARG 110 2HG ARG 110 -12.620 -2.738 -3.838 847 HD2 ARG 110 1HD ARG 110 -15.259 -2.830 -2.890 848 HD3 ARG 110 2HD ARG 110 -15.131 -1.205 -3.533 849 HE ARG 110 HE ARG 110 -13.955 -2.877 -5.470 850 HH11 ARG 110 2HH2 ARG 110 -17.115 -2.524 -3.963 851 HH12 ARG 110 1HH2 ARG 110 -17.980 -3.116 -5.342 852 HH21 ARG 110 2HH1 ARG 110 -15.096 -3.658 -7.289 853 HH22 ARG 110 1HH1 ARG 110 -16.824 -3.765 -7.247 854 H VAL 111 H VAL 111 -10.078 -0.200 -1.222 855 HA VAL 111 HA VAL 111 -11.584 1.413 0.654 856 HB VAL 111 HB VAL 111 -8.993 2.024 -0.775 857 HG11 VAL 111 1HG1 VAL 111 -10.393 3.180 1.645 858 HG12 VAL 111 2HG1 VAL 111 -8.651 3.409 1.354 859 HG13 VAL 111 3HG1 VAL 111 -9.838 4.014 0.174 860 HG21 VAL 111 1HG2 VAL 111 -8.535 -0.006 0.335 861 HG22 VAL 111 2HG2 VAL 111 -7.964 1.259 1.448 862 HG23 VAL 111 3HG2 VAL 111 -9.517 0.444 1.750 863 H SER 112 H SER 112 -13.322 2.486 -0.145 864 HA SER 112 HA SER 112 -13.169 3.391 -2.885 865 HB2 SER 112 1HB SER 112 -15.379 2.909 -0.901 866 HB3 SER 112 2HB SER 112 -15.666 4.094 -2.159 867 HG SER 112 HG SER 112 -15.346 1.283 -2.355 868 H LEU 113 H LEU 113 -13.301 5.610 -3.481 869 HA LEU 113 HA LEU 113 -12.377 7.423 -1.486 870 HB2 LEU 113 1HB LEU 113 -12.489 7.249 -4.345 871 HB3 LEU 113 2HB LEU 113 -13.154 8.789 -3.841 872 HG LEU 113 HG LEU 113 -10.522 8.315 -4.283 873 HD11 LEU 113 1HD1 LEU 113 -10.727 10.327 -2.232 874 HD12 LEU 113 2HD1 LEU 113 -10.482 10.512 -3.985 875 HD13 LEU 113 3HD1 LEU 113 -12.131 10.416 -3.323 876 HD21 LEU 113 1HD2 LEU 113 -10.620 8.337 -1.279 877 HD22 LEU 113 2HD2 LEU 113 -10.633 6.800 -2.178 878 HD23 LEU 113 3HD2 LEU 113 -9.273 7.933 -2.370 879 HA PRO 114 HA PRO 114 -16.187 9.036 -0.257 880 HB2 PRO 114 1HB PRO 114 -15.462 11.514 0.640 881 HB3 PRO 114 2HB PRO 114 -15.246 10.052 1.583 882 HG2 PRO 114 1HG PRO 114 -13.216 11.643 0.138 883 HG3 PRO 114 2HG PRO 114 -12.982 10.457 1.407 884 HD2 PRO 114 1HD PRO 114 -12.524 10.080 -1.399 885 HD3 PRO 114 2HD PRO 114 -12.402 8.863 -0.144 886 H GLU 115 H GLU 115 -17.886 9.459 -1.502 887 HA GLU 115 HA GLU 115 -17.573 10.758 -3.891 888 HB2 GLU 115 1HB GLU 115 -19.559 9.320 -2.770 889 HB3 GLU 115 2HB GLU 115 -20.232 10.915 -2.496 890 HG2 GLU 115 1HG GLU 115 -19.376 11.117 -5.131 891 HG3 GLU 115 2HG GLU 115 -19.860 9.435 -5.046 892 H SER 116 H SER 116 -16.475 12.753 -3.762 893 HA SER 116 HA SER 116 -16.663 14.681 -1.974 894 HB2 SER 116 1HB SER 116 -15.753 16.121 -3.575 895 HB3 SER 116 2HB SER 116 -15.412 14.555 -4.283 896 HG SER 116 HG SER 116 -16.601 16.473 -5.533 897 H GLY 117 H GLY 117 -18.537 15.328 -0.935 898 HA2 GLY 117 1HA GLY 117 -20.576 16.217 -0.620 899 HA3 GLY 117 2HA GLY 117 -20.343 17.061 -2.137 900 HA PRO 118 HA PRO 118 -23.611 13.806 -2.566 901 HB2 PRO 118 1HB PRO 118 -25.885 15.311 -2.382 902 HB3 PRO 118 2HB PRO 118 -25.229 14.396 -1.038 903 HG2 PRO 118 1HG PRO 118 -25.147 17.313 -1.509 904 HG3 PRO 118 2HG PRO 118 -24.890 16.435 -0.015 905 HD2 PRO 118 1HD PRO 118 -22.874 17.612 -1.681 906 HD3 PRO 118 2HD PRO 118 -22.612 16.636 -0.250 907 H SER 119 H SER 119 -24.533 13.160 -4.491 908 HA SER 119 HA SER 119 -24.927 15.266 -6.402 909 HB2 SER 119 1HB SER 119 -23.394 14.462 -8.049 910 HB3 SER 119 2HB SER 119 -22.479 14.545 -6.556 911 HG SER 119 HG SER 119 -22.123 12.444 -6.685 912 H SER 120 H SER 120 -26.154 14.487 -8.325 913 HA SER 120 HA SER 120 -27.833 12.298 -7.545 914 HB2 SER 120 1HB SER 120 -28.170 14.705 -9.015 915 HB3 SER 120 2HB SER 120 -28.418 13.417 -10.177 916 HG SER 120 HG SER 120 -29.876 13.991 -7.774 917 H GLY 121 H GLY 121 -26.975 10.276 -7.971 918 HA2 GLY 121 1HA GLY 121 -26.933 8.901 -10.151 919 HA3 GLY 121 2HA GLY 121 -25.534 9.893 -10.509 Start of MODEL 18 1 H1 GLY 1 H GLY 1 26.652 -30.326 -21.939 2 HA2 GLY 1 1HA GLY 1 24.723 -29.432 -21.025 3 HA3 GLY 1 2HA GLY 1 24.006 -31.028 -20.920 4 H SER 2 H SER 2 23.405 -30.692 -18.691 5 HA SER 2 HA SER 2 25.682 -31.072 -16.932 6 HB2 SER 2 1HB SER 2 24.803 -29.490 -15.294 7 HB3 SER 2 2HB SER 2 25.021 -28.667 -16.825 8 HG SER 2 HG SER 2 22.927 -28.240 -16.887 9 H SER 3 H SER 3 25.301 -32.609 -15.304 10 HA SER 3 HA SER 3 22.544 -33.422 -14.930 11 HB2 SER 3 1HB SER 3 23.821 -34.896 -16.655 12 HB3 SER 3 2HB SER 3 24.745 -35.486 -15.288 13 HG SER 3 HG SER 3 23.055 -36.630 -14.578 14 H GLY 4 H GLY 4 22.140 -34.378 -12.826 15 HA2 GLY 4 1HA GLY 4 22.969 -35.273 -10.779 16 HA3 GLY 4 2HA GLY 4 24.438 -34.337 -10.975 17 H SER 5 H SER 5 23.421 -33.968 -8.572 18 HA SER 5 HA SER 5 22.870 -31.288 -8.450 19 HB2 SER 5 1HB SER 5 20.573 -32.511 -9.288 20 HB3 SER 5 2HB SER 5 20.351 -32.627 -7.553 21 HG SER 5 HG SER 5 19.455 -30.650 -8.354 22 H SER 6 H SER 6 23.498 -30.675 -6.392 23 HA SER 6 HA SER 6 23.698 -32.832 -4.467 24 HB2 SER 6 1HB SER 6 25.290 -30.454 -5.129 25 HB3 SER 6 2HB SER 6 24.966 -30.549 -3.409 26 HG SER 6 HG SER 6 26.595 -32.163 -5.016 27 H GLY 7 H GLY 7 22.762 -29.320 -4.671 28 HA2 GLY 7 1HA GLY 7 20.982 -28.266 -3.728 29 HA3 GLY 7 2HA GLY 7 20.458 -29.774 -3.006 30 H ARG 8 H ARG 8 20.712 -27.020 -1.812 31 HA ARG 8 HA ARG 8 22.064 -27.897 0.541 32 HB2 ARG 8 1HB ARG 8 23.415 -25.724 0.681 33 HB3 ARG 8 2HB ARG 8 23.977 -26.870 -0.521 34 HG2 ARG 8 1HG ARG 8 23.006 -25.622 -2.332 35 HG3 ARG 8 2HG ARG 8 22.001 -24.676 -1.253 36 HD2 ARG 8 1HD ARG 8 24.564 -24.135 -0.290 37 HD3 ARG 8 2HD ARG 8 24.841 -24.276 -2.014 38 HE ARG 8 HE ARG 8 22.497 -22.653 -1.457 39 HH11 ARG 8 2HH2 ARG 8 26.014 -22.577 -1.551 40 HH12 ARG 8 1HH2 ARG 8 26.097 -20.869 -1.829 41 HH21 ARG 8 2HH1 ARG 8 22.606 -20.400 -1.823 42 HH22 ARG 8 1HH1 ARG 8 24.146 -19.622 -1.985 43 H SER 9 H SER 9 21.321 -26.734 2.435 44 HA SER 9 HA SER 9 19.737 -24.410 2.090 45 HB2 SER 9 1HB SER 9 18.372 -26.837 1.788 46 HB3 SER 9 2HB SER 9 18.079 -26.425 3.466 47 HG SER 9 HG SER 9 17.721 -24.134 2.191 48 H ALA 10 H ALA 10 18.821 -23.705 4.332 49 HA ALA 10 HA ALA 10 19.324 -23.118 6.411 50 HB1 ALA 10 1HB ALA 10 19.759 -25.170 7.957 51 HB2 ALA 10 2HB ALA 10 18.206 -25.072 7.094 52 HB3 ALA 10 3HB ALA 10 19.495 -26.138 6.486 53 H HIS 11 H HIS 11 21.119 -23.533 8.314 54 HA HIS 11 HA HIS 11 23.202 -23.188 8.906 55 HB2 HIS 11 1HB HIS 11 23.246 -25.504 7.400 56 HB3 HIS 11 2HB HIS 11 24.524 -24.556 6.666 57 HD1 HIS 11 1HD HIS 11 23.554 -26.221 9.916 58 HD2 HIS 11 2HD HIS 11 26.819 -24.177 8.254 59 HE1 HIS 11 1HE HIS 11 25.507 -26.568 11.521 60 H LEU 12 H LEU 12 24.059 -21.180 8.801 61 HA LEU 12 HA LEU 12 25.051 -19.376 7.989 62 HB2 LEU 12 1HB LEU 12 26.378 -21.078 6.677 63 HB3 LEU 12 2HB LEU 12 25.303 -20.773 5.328 64 HG LEU 12 HG LEU 12 26.357 -18.278 6.369 65 HD11 LEU 12 1HD1 LEU 12 28.279 -19.442 7.128 66 HD12 LEU 12 2HD1 LEU 12 28.360 -20.426 5.647 67 HD13 LEU 12 3HD1 LEU 12 28.720 -18.684 5.579 68 HD21 LEU 12 1HD2 LEU 12 26.761 -17.799 4.106 69 HD22 LEU 12 2HD2 LEU 12 26.887 -19.520 3.670 70 HD23 LEU 12 3HD2 LEU 12 25.307 -18.826 4.106 71 H ARG 13 H ARG 13 24.301 -17.407 7.167 72 HA ARG 13 HA ARG 13 21.591 -17.470 6.396 73 HB2 ARG 13 1HB ARG 13 23.627 -15.202 6.628 74 HB3 ARG 13 2HB ARG 13 21.944 -14.925 6.224 75 HG2 ARG 13 1HG ARG 13 21.431 -14.947 8.430 76 HG3 ARG 13 2HG ARG 13 21.912 -16.631 8.510 77 HD2 ARG 13 1HD ARG 13 23.695 -16.060 9.792 78 HD3 ARG 13 2HD ARG 13 24.336 -15.096 8.476 79 HE ARG 13 HE ARG 13 22.240 -13.628 9.790 80 HH11 ARG 13 2HH2 ARG 13 25.558 -14.691 10.285 81 HH12 ARG 13 1HH2 ARG 13 25.951 -13.386 11.354 82 HH21 ARG 13 2HH1 ARG 13 22.759 -11.906 11.199 83 HH22 ARG 13 1HH1 ARG 13 24.349 -11.791 11.877 84 H VAL 14 H VAL 14 20.730 -17.407 4.325 85 HA VAL 14 HA VAL 14 22.628 -16.835 2.154 86 HB VAL 14 HB VAL 14 21.777 -19.217 2.476 87 HG11 VAL 14 1HG1 VAL 14 19.498 -18.989 2.988 88 HG12 VAL 14 2HG1 VAL 14 19.219 -17.832 1.664 89 HG13 VAL 14 3HG1 VAL 14 19.504 -19.551 1.299 90 HG21 VAL 14 1HG2 VAL 14 22.044 -17.596 0.065 91 HG22 VAL 14 2HG2 VAL 14 22.638 -19.238 0.410 92 HG23 VAL 14 3HG2 VAL 14 20.978 -18.999 -0.185 93 H ARG 15 H ARG 15 21.997 -15.381 0.555 94 HA ARG 15 HA ARG 15 20.189 -13.463 1.284 95 HB2 ARG 15 1HB ARG 15 21.644 -14.204 -1.242 96 HB3 ARG 15 2HB ARG 15 20.301 -13.093 -1.421 97 HG2 ARG 15 1HG ARG 15 21.288 -11.528 0.181 98 HG3 ARG 15 2HG ARG 15 22.539 -12.677 0.613 99 HD2 ARG 15 1HD ARG 15 22.266 -11.838 -2.285 100 HD3 ARG 15 2HD ARG 15 23.032 -10.739 -1.155 101 HE ARG 15 HE ARG 15 24.177 -13.173 -2.210 102 HH11 ARG 15 2HH2 ARG 15 24.077 -11.192 0.696 103 HH12 ARG 15 1HH2 ARG 15 25.625 -11.722 1.265 104 HH21 ARG 15 2HH1 ARG 15 26.219 -13.873 -1.460 105 HH22 ARG 15 1HH1 ARG 15 26.851 -13.257 0.030 106 H GLN 16 H GLN 16 18.184 -14.573 1.873 107 HA GLN 16 HA GLN 16 16.822 -15.898 -0.301 108 HB2 GLN 16 1HB GLN 16 16.940 -16.827 2.089 109 HB3 GLN 16 2HB GLN 16 15.857 -15.534 2.565 110 HG2 GLN 16 1HG GLN 16 14.044 -16.603 1.699 111 HG3 GLN 16 2HG GLN 16 14.852 -16.892 0.170 112 HE21 GLN 16 1HE2 GLN 16 17.037 -18.364 0.945 113 HE22 GLN 16 2HE2 GLN 16 16.549 -19.908 1.558 114 H LEU 17 H LEU 17 14.582 -15.301 -0.894 115 HA LEU 17 HA LEU 17 14.330 -12.493 -1.161 116 HB2 LEU 17 1HB LEU 17 12.594 -14.846 -1.875 117 HB3 LEU 17 2HB LEU 17 12.069 -13.194 -2.135 118 HG LEU 17 HG LEU 17 14.526 -14.487 -3.351 119 HD11 LEU 17 1HD1 LEU 17 12.655 -15.426 -4.424 120 HD12 LEU 17 2HD1 LEU 17 11.779 -13.877 -4.447 121 HD13 LEU 17 3HD1 LEU 17 13.199 -14.112 -5.495 122 HD21 LEU 17 1HD2 LEU 17 15.296 -12.455 -3.783 123 HD22 LEU 17 2HD2 LEU 17 13.808 -12.085 -4.687 124 HD23 LEU 17 3HD2 LEU 17 13.905 -11.727 -2.946 125 HA PRO 18 HA PRO 18 12.032 -11.618 2.386 126 HB2 PRO 18 1HB PRO 18 10.788 -9.298 1.650 127 HB3 PRO 18 2HB PRO 18 12.454 -9.363 2.189 128 HG2 PRO 18 1HG PRO 18 11.406 -9.022 -0.554 129 HG3 PRO 18 2HG PRO 18 13.009 -8.670 0.061 130 HD2 PRO 18 1HD PRO 18 12.238 -10.932 -1.525 131 HD3 PRO 18 2HD PRO 18 13.812 -10.639 -0.813 132 H HIS 19 H HIS 19 9.705 -10.808 3.138 133 HA HIS 19 HA HIS 19 7.916 -12.546 1.601 134 HB2 HIS 19 1HB HIS 19 8.177 -11.995 4.546 135 HB3 HIS 19 2HB HIS 19 6.638 -12.511 3.885 136 HD1 HIS 19 1HD HIS 19 7.363 -14.582 5.644 137 HD2 HIS 19 2HD HIS 19 9.300 -14.349 1.930 138 HE1 HIS 19 1HE HIS 19 8.374 -16.886 5.219 139 H ALA 20 H ALA 20 5.681 -11.837 1.337 140 HA ALA 20 HA ALA 20 5.509 -9.120 0.667 141 HB1 ALA 20 1HB ALA 20 3.813 -11.540 0.629 142 HB2 ALA 20 2HB ALA 20 2.907 -10.018 0.812 143 HB3 ALA 20 3HB ALA 20 3.990 -10.248 -0.582 144 HA PRO 21 HA PRO 21 4.112 -7.320 4.342 145 HB2 PRO 21 1HB PRO 21 2.385 -5.382 3.489 146 HB3 PRO 21 2HB PRO 21 4.127 -5.204 3.435 147 HG2 PRO 21 1HG PRO 21 2.249 -5.732 1.215 148 HG3 PRO 21 2HG PRO 21 3.896 -5.138 1.141 149 HD2 PRO 21 1HD PRO 21 3.004 -7.800 0.554 150 HD3 PRO 21 2HD PRO 21 4.662 -7.235 0.593 151 H GLU 22 H GLU 22 3.007 -8.227 5.946 152 HA GLU 22 HA GLU 22 0.511 -9.413 5.192 153 HB2 GLU 22 1HB GLU 22 2.436 -9.636 7.441 154 HB3 GLU 22 2HB GLU 22 0.760 -9.804 7.922 155 HG2 GLU 22 1HG GLU 22 0.494 -11.496 6.002 156 HG3 GLU 22 2HG GLU 22 2.235 -11.439 5.811 157 H HIS 23 H HIS 23 -1.333 -9.179 7.012 158 HA HIS 23 HA HIS 23 -2.975 -7.801 7.579 159 HB2 HIS 23 1HB HIS 23 -0.592 -7.094 9.202 160 HB3 HIS 23 2HB HIS 23 -1.928 -5.963 9.279 161 HD1 HIS 23 1HD HIS 23 -4.000 -6.646 10.617 162 HD2 HIS 23 2HD HIS 23 -1.224 -9.756 10.154 163 HE1 HIS 23 1HE HIS 23 -4.768 -8.525 12.163 164 HA PRO 24 HA PRO 24 -1.702 -4.464 4.677 165 HB2 PRO 24 1HB PRO 24 -2.891 -5.342 2.379 166 HB3 PRO 24 2HB PRO 24 -1.195 -5.600 2.740 167 HG2 PRO 24 1HG PRO 24 -3.428 -7.535 2.843 168 HG3 PRO 24 2HG PRO 24 -1.705 -7.849 2.781 169 HD2 PRO 24 1HD PRO 24 -3.402 -8.035 5.086 170 HD3 PRO 24 2HD PRO 24 -1.661 -8.236 5.047 171 H VAL 25 H VAL 25 -2.931 -3.078 5.945 172 HA VAL 25 HA VAL 25 -5.793 -3.223 5.381 173 HB VAL 25 HB VAL 25 -6.095 -2.533 7.466 174 HG11 VAL 25 1HG1 VAL 25 -3.096 -2.772 7.849 175 HG12 VAL 25 2HG1 VAL 25 -4.380 -3.046 9.051 176 HG13 VAL 25 3HG1 VAL 25 -4.184 -4.172 7.686 177 HG21 VAL 25 1HG2 VAL 25 -5.795 -0.254 7.245 178 HG22 VAL 25 2HG2 VAL 25 -4.547 -0.643 8.452 179 HG23 VAL 25 3HG2 VAL 25 -4.094 -0.413 6.746 180 H ALA 26 H ALA 26 -6.930 -1.516 4.419 181 HA ALA 26 HA ALA 26 -5.352 0.804 3.612 182 HB1 ALA 26 1HB ALA 26 -5.899 0.572 1.314 183 HB2 ALA 26 2HB ALA 26 -5.370 -1.050 1.821 184 HB3 ALA 26 3HB ALA 26 -7.105 -0.695 1.643 185 H THR 27 H THR 27 -6.451 2.356 4.742 186 HA THR 27 HA THR 27 -9.345 2.488 4.249 187 HB THR 27 HB THR 27 -9.215 3.446 6.774 188 HG1 THR 27 1HG THR 27 -7.558 1.887 7.774 189 HG21 THR 27 1HG2 THR 27 -10.095 1.405 7.522 190 HG22 THR 27 2HG2 THR 27 -10.301 1.189 5.767 191 HG23 THR 27 3HG2 THR 27 -8.914 0.445 6.600 192 H LEU 28 H LEU 28 -10.261 4.664 4.475 193 HA LEU 28 HA LEU 28 -8.779 6.515 3.054 194 HB2 LEU 28 1HB LEU 28 -11.358 6.375 4.418 195 HB3 LEU 28 2HB LEU 28 -10.668 7.986 4.438 196 HG LEU 28 HG LEU 28 -11.239 6.301 1.985 197 HD11 LEU 28 1HD1 LEU 28 -13.128 7.511 1.641 198 HD12 LEU 28 2HD1 LEU 28 -13.070 7.616 3.417 199 HD13 LEU 28 3HD1 LEU 28 -12.479 8.971 2.426 200 HD21 LEU 28 1HD2 LEU 28 -10.686 8.962 1.241 201 HD22 LEU 28 2HD2 LEU 28 -9.377 8.467 2.340 202 HD23 LEU 28 3HD2 LEU 28 -9.732 7.502 0.888 203 H SER 29 H SER 29 -8.408 8.881 3.964 204 HA SER 29 HA SER 29 -6.544 8.495 6.106 205 HB2 SER 29 1HB SER 29 -6.165 9.871 3.938 206 HB3 SER 29 2HB SER 29 -7.164 11.106 4.677 207 HG SER 29 HG SER 29 -5.659 11.393 6.331 208 H THR 30 H THR 30 -9.818 9.569 5.632 209 HA THR 30 HA THR 30 -11.268 10.727 6.892 210 HB THR 30 HB THR 30 -11.245 9.867 9.307 211 HG1 THR 30 1HG THR 30 -9.365 8.785 9.894 212 HG21 THR 30 1HG2 THR 30 -11.266 7.383 8.671 213 HG22 THR 30 2HG2 THR 30 -12.354 8.402 7.698 214 HG23 THR 30 3HG2 THR 30 -10.791 7.876 7.028 215 H VAL 31 H VAL 31 -8.631 12.074 6.314 216 HA VAL 31 HA VAL 31 -9.082 14.256 8.126 217 HB VAL 31 HB VAL 31 -7.114 12.332 8.758 218 HG11 VAL 31 1HG1 VAL 31 -5.576 13.277 7.169 219 HG12 VAL 31 2HG1 VAL 31 -5.923 14.928 7.735 220 HG13 VAL 31 3HG1 VAL 31 -5.067 13.784 8.797 221 HG21 VAL 31 1HG2 VAL 31 -6.601 13.943 10.606 222 HG22 VAL 31 2HG2 VAL 31 -7.667 15.124 9.809 223 HG23 VAL 31 3HG2 VAL 31 -8.334 13.588 10.411 224 H GLU 32 H GLU 32 -6.841 12.794 5.673 225 HA GLU 32 HA GLU 32 -6.648 15.425 4.474 226 HB2 GLU 32 1HB GLU 32 -4.798 13.316 4.871 227 HB3 GLU 32 2HB GLU 32 -5.098 13.334 3.144 228 HG2 GLU 32 1HG GLU 32 -4.312 15.773 4.812 229 HG3 GLU 32 2HG GLU 32 -3.216 14.851 3.802 230 H ARG 33 H ARG 33 -7.811 15.956 2.669 231 HA ARG 33 HA ARG 33 -9.699 14.214 1.682 232 HB2 ARG 33 1HB ARG 33 -8.488 16.738 0.448 233 HB3 ARG 33 2HB ARG 33 -9.916 15.944 -0.187 234 HG2 ARG 33 1HG ARG 33 -10.027 16.479 2.739 235 HG3 ARG 33 2HG ARG 33 -9.933 17.925 1.752 236 HD2 ARG 33 1HD ARG 33 -11.817 16.558 0.328 237 HD3 ARG 33 2HD ARG 33 -12.119 15.872 1.912 238 HE ARG 33 HE ARG 33 -11.883 18.745 2.105 239 HH11 ARG 33 2HH2 ARG 33 -14.090 16.213 1.057 240 HH12 ARG 33 1HH2 ARG 33 -15.511 17.170 1.309 241 HH21 ARG 33 2HH1 ARG 33 -13.757 20.008 2.438 242 HH22 ARG 33 1HH1 ARG 33 -15.320 19.344 2.100 243 H ARG 34 H ARG 34 -9.770 12.846 -0.155 244 HA ARG 34 HA ARG 34 -8.996 11.487 -1.648 245 HB2 ARG 34 1HB ARG 34 -7.052 13.654 -2.558 246 HB3 ARG 34 2HB ARG 34 -7.808 12.419 -3.545 247 HG2 ARG 34 1HG ARG 34 -9.496 14.464 -2.057 248 HG3 ARG 34 2HG ARG 34 -8.787 14.851 -3.612 249 HD2 ARG 34 1HD ARG 34 -10.424 13.704 -4.689 250 HD3 ARG 34 2HD ARG 34 -10.017 12.239 -3.816 251 HE ARG 34 HE ARG 34 -11.928 12.579 -2.534 252 HH11 ARG 34 2HH2 ARG 34 -10.785 15.711 -3.662 253 HH12 ARG 34 1HH2 ARG 34 -12.085 16.591 -2.931 254 HH21 ARG 34 2HH1 ARG 34 -13.643 13.741 -1.570 255 HH22 ARG 34 1HH1 ARG 34 -13.722 15.464 -1.733 256 H ALA 35 H ALA 35 -7.809 11.042 0.814 257 HA ALA 35 HA ALA 35 -5.152 10.146 0.007 258 HB1 ALA 35 1HB ALA 35 -4.046 11.148 1.796 259 HB2 ALA 35 2HB ALA 35 -5.219 12.413 1.357 260 HB3 ALA 35 3HB ALA 35 -5.540 11.345 2.745 261 H ILE 36 H ILE 36 -4.602 8.130 0.862 262 HA ILE 36 HA ILE 36 -6.628 6.963 2.642 263 HB ILE 36 HB ILE 36 -5.149 5.620 0.377 264 HG12 ILE 36 1HG1 ILE 36 -8.062 6.424 0.629 265 HG13 ILE 36 2HG1 ILE 36 -6.874 7.168 -0.423 266 HG21 ILE 36 1HG2 ILE 36 -6.423 3.649 0.882 267 HG22 ILE 36 2HG2 ILE 36 -5.576 4.170 2.358 268 HG23 ILE 36 3HG2 ILE 36 -7.316 4.495 2.169 269 HD11 ILE 36 1HD1 ILE 36 -6.546 4.997 -1.606 270 HD12 ILE 36 2HD1 ILE 36 -7.759 4.247 -0.541 271 HD13 ILE 36 3HD1 ILE 36 -8.243 5.532 -1.674 272 H ASN 37 H ASN 37 -5.831 5.358 4.168 273 HA ASN 37 HA ASN 37 -3.025 5.862 4.750 274 HB2 ASN 37 1HB ASN 37 -5.403 5.890 6.376 275 HB3 ASN 37 2HB ASN 37 -4.443 4.526 6.916 276 HD21 ASN 37 1HD2 ASN 37 -4.537 7.985 6.413 277 HD22 ASN 37 2HD2 ASN 37 -3.209 8.421 7.436 278 H LEU 38 H LEU 38 -1.894 4.143 3.762 279 HA LEU 38 HA LEU 38 -3.053 1.471 3.983 280 HB2 LEU 38 1HB LEU 38 -2.205 2.599 1.802 281 HB3 LEU 38 2HB LEU 38 -0.608 2.198 2.402 282 HG LEU 38 HG LEU 38 -1.498 0.542 0.801 283 HD11 LEU 38 1HD1 LEU 38 -0.906 -1.453 2.066 284 HD12 LEU 38 2HD1 LEU 38 0.184 -0.105 2.469 285 HD13 LEU 38 3HD1 LEU 38 -1.114 -0.568 3.596 286 HD21 LEU 38 1HD2 LEU 38 -3.871 0.807 2.308 287 HD22 LEU 38 2HD2 LEU 38 -3.574 -0.228 0.891 288 HD23 LEU 38 3HD2 LEU 38 -3.309 -0.867 2.531 289 H THR 39 H THR 39 -2.380 0.108 5.545 290 HA THR 39 HA THR 39 0.358 0.447 6.546 291 HB THR 39 HB THR 39 -0.361 0.801 8.724 292 HG1 THR 39 1HG THR 39 -2.528 -0.899 7.750 293 HG21 THR 39 1HG2 THR 39 -1.625 2.576 7.470 294 HG22 THR 39 2HG2 THR 39 -2.976 1.437 7.258 295 HG23 THR 39 3HG2 THR 39 -2.535 2.001 8.888 296 H TRP 40 H TRP 40 1.474 -1.416 6.884 297 HA TRP 40 HA TRP 40 -0.078 -3.899 6.768 298 HB2 TRP 40 1HB TRP 40 1.605 -4.873 5.268 299 HB3 TRP 40 2HB TRP 40 0.677 -3.585 4.526 300 HD1 TRP 40 HD TRP 40 4.247 -4.537 5.356 301 HE1 TRP 40 1HE TRP 40 5.983 -2.737 4.513 302 HE3 TRP 40 3HE TRP 40 0.799 -0.977 4.222 303 HZ2 TRP 40 2HZ TRP 40 5.725 -0.086 3.490 304 HZ3 TRP 40 3HZ TRP 40 1.624 1.189 3.306 305 HH2 TRP 40 HH TRP 40 3.994 1.662 2.936 306 H THR 41 H THR 41 1.949 -5.721 7.101 307 HA THR 41 HA THR 41 3.197 -4.806 9.606 308 HB THR 41 HB THR 41 2.037 -7.446 8.631 309 HG1 THR 41 1HG THR 41 1.127 -7.083 10.880 310 HG21 THR 41 1HG2 THR 41 2.952 -8.528 10.643 311 HG22 THR 41 2HG2 THR 41 4.311 -7.908 9.675 312 HG23 THR 41 3HG2 THR 41 3.771 -7.021 11.120 313 H LYS 42 H LYS 42 5.340 -5.646 10.135 314 HA LYS 42 HA LYS 42 7.016 -5.474 7.817 315 HB2 LYS 42 1HB LYS 42 7.300 -4.598 10.337 316 HB3 LYS 42 2HB LYS 42 8.113 -6.140 10.510 317 HG2 LYS 42 1HG LYS 42 8.808 -4.505 8.083 318 HG3 LYS 42 2HG LYS 42 9.380 -3.909 9.629 319 HD2 LYS 42 1HD LYS 42 10.325 -6.257 10.068 320 HD3 LYS 42 2HD LYS 42 9.935 -6.648 8.405 321 HE2 LYS 42 1HE LYS 42 12.267 -5.946 8.487 322 HE3 LYS 42 2HE LYS 42 11.358 -4.707 7.644 323 HZ1 LYS 42 1HZ LYS 42 11.325 -4.159 10.377 324 HZ2 LYS 42 2HZ LYS 42 12.873 -4.415 9.923 325 HZ3 LYS 42 3HZ LYS 42 11.980 -3.273 9.171 326 HA PRO 43 HA PRO 43 6.946 -9.830 7.341 327 HB2 PRO 43 1HB PRO 43 8.101 -9.898 4.865 328 HB3 PRO 43 2HB PRO 43 6.378 -9.697 5.114 329 HG2 PRO 43 1HG PRO 43 8.387 -7.674 4.333 330 HG3 PRO 43 2HG PRO 43 6.643 -7.606 4.176 331 HD2 PRO 43 1HD PRO 43 8.242 -6.266 6.144 332 HD3 PRO 43 2HD PRO 43 6.492 -6.293 6.057 333 H PHE 44 H PHE 44 8.611 -11.590 6.635 334 HA PHE 44 HA PHE 44 10.929 -10.945 8.241 335 HB2 PHE 44 1HB PHE 44 9.641 -13.088 8.499 336 HB3 PHE 44 2HB PHE 44 9.874 -13.452 6.801 337 HD1 PHE 44 2HD PHE 44 12.405 -13.576 6.037 338 HD2 PHE 44 1HD PHE 44 11.071 -14.050 10.038 339 HE1 PHE 44 2HE PHE 44 14.512 -14.822 6.592 340 HE2 PHE 44 1HE PHE 44 13.179 -15.296 10.593 341 HZ PHE 44 HZ PHE 44 14.874 -15.666 8.863 342 H ASP 45 H ASP 45 12.886 -10.370 7.417 343 HA ASP 45 HA ASP 45 13.147 -10.292 4.585 344 HB2 ASP 45 1HB ASP 45 15.102 -8.992 4.985 345 HB3 ASP 45 2HB ASP 45 14.005 -8.546 6.276 346 H GLY 46 H GLY 46 14.081 -11.955 3.379 347 HA2 GLY 46 1HA GLY 46 14.754 -14.406 4.171 348 HA3 GLY 46 2HA GLY 46 15.555 -13.600 2.837 349 H ASN 47 H ASN 47 17.314 -11.863 3.674 350 HA ASN 47 HA ASN 47 18.548 -12.418 6.107 351 HB2 ASN 47 1HB ASN 47 19.517 -13.921 3.672 352 HB3 ASN 47 2HB ASN 47 20.738 -13.286 4.757 353 HD21 ASN 47 1HD2 ASN 47 19.338 -15.998 4.039 354 HD22 ASN 47 2HD2 ASN 47 19.141 -16.776 5.574 355 H SER 48 H SER 48 17.656 -10.173 4.436 356 HA SER 48 HA SER 48 20.117 -8.720 4.402 357 HB2 SER 48 1HB SER 48 19.484 -9.865 2.020 358 HB3 SER 48 2HB SER 48 18.529 -8.403 1.878 359 HG SER 48 HG SER 48 21.262 -8.210 2.727 360 HA PRO 49 HA PRO 49 17.303 -5.594 5.514 361 HB2 PRO 49 1HB PRO 49 18.700 -3.317 4.940 362 HB3 PRO 49 2HB PRO 49 18.975 -4.271 6.383 363 HG2 PRO 49 1HG PRO 49 20.624 -4.093 3.936 364 HG3 PRO 49 2HG PRO 49 21.075 -4.685 5.523 365 HD2 PRO 49 1HD PRO 49 20.471 -6.268 3.209 366 HD3 PRO 49 2HD PRO 49 20.808 -6.859 4.824 367 H LEU 50 H LEU 50 15.402 -4.935 4.739 368 HA LEU 50 HA LEU 50 14.787 -5.090 2.117 369 HB2 LEU 50 1HB LEU 50 13.663 -3.214 4.199 370 HB3 LEU 50 2HB LEU 50 12.920 -3.523 2.643 371 HG LEU 50 HG LEU 50 13.481 -5.718 4.647 372 HD11 LEU 50 1HD1 LEU 50 11.319 -5.513 5.550 373 HD12 LEU 50 2HD1 LEU 50 11.976 -3.859 5.530 374 HD13 LEU 50 3HD1 LEU 50 10.805 -4.367 4.289 375 HD21 LEU 50 1HD2 LEU 50 12.546 -7.136 3.197 376 HD22 LEU 50 2HD2 LEU 50 11.233 -6.006 2.791 377 HD23 LEU 50 3HD2 LEU 50 12.811 -5.864 1.981 378 H ILE 51 H ILE 51 14.440 -3.497 0.398 379 HA ILE 51 HA ILE 51 16.394 -1.313 0.601 380 HB ILE 51 HB ILE 51 15.689 -3.194 -1.620 381 HG12 ILE 51 1HG1 ILE 51 18.284 -2.199 -0.413 382 HG13 ILE 51 2HG1 ILE 51 17.573 -3.789 -0.221 383 HG21 ILE 51 1HG2 ILE 51 17.127 -1.586 -3.062 384 HG22 ILE 51 2HG2 ILE 51 15.398 -1.236 -2.827 385 HG23 ILE 51 3HG2 ILE 51 16.621 -0.348 -1.887 386 HD11 ILE 51 1HD1 ILE 51 19.171 -4.135 -1.922 387 HD12 ILE 51 2HD1 ILE 51 17.666 -3.908 -2.845 388 HD13 ILE 51 3HD1 ILE 51 18.828 -2.568 -2.694 389 H ARG 52 H ARG 52 13.363 -2.319 -1.140 390 HA ARG 52 HA ARG 52 12.141 0.105 -0.344 391 HB2 ARG 52 1HB ARG 52 11.834 1.119 -2.520 392 HB3 ARG 52 2HB ARG 52 13.546 0.776 -2.377 393 HG2 ARG 52 1HG ARG 52 13.274 -1.306 -3.695 394 HG3 ARG 52 2HG ARG 52 11.541 -1.059 -3.772 395 HD2 ARG 52 1HD ARG 52 12.070 -0.071 -5.791 396 HD3 ARG 52 2HD ARG 52 12.329 1.337 -4.781 397 HE ARG 52 HE ARG 52 14.785 0.086 -4.692 398 HH11 ARG 52 2HH2 ARG 52 12.678 1.060 -7.337 399 HH12 ARG 52 1HH2 ARG 52 13.981 1.316 -8.450 400 HH21 ARG 52 2HH1 ARG 52 16.504 0.423 -6.159 401 HH22 ARG 52 1HH1 ARG 52 16.172 0.951 -7.775 402 H TYR 53 H TYR 53 9.840 0.237 -1.561 403 HA TYR 53 HA TYR 53 8.920 -2.490 -2.130 404 HB2 TYR 53 1HB TYR 53 8.040 -0.372 -0.117 405 HB3 TYR 53 2HB TYR 53 6.807 -1.415 -0.797 406 HD1 TYR 53 2HD TYR 53 10.215 -1.737 0.758 407 HD2 TYR 53 1HD TYR 53 6.257 -3.321 0.400 408 HE1 TYR 53 2HE TYR 53 10.766 -3.523 2.481 409 HE2 TYR 53 1HE TYR 53 6.821 -5.101 2.125 410 HH TYR 53 HH TYR 53 8.271 -5.745 3.635 411 H ILE 54 H ILE 54 7.689 -2.621 -3.950 412 HA ILE 54 HA ILE 54 6.987 -0.105 -5.224 413 HB ILE 54 HB ILE 54 6.830 -2.925 -6.290 414 HG12 ILE 54 1HG1 ILE 54 9.074 -0.899 -6.530 415 HG13 ILE 54 2HG1 ILE 54 9.126 -2.393 -5.614 416 HG21 ILE 54 1HG2 ILE 54 6.540 -1.993 -8.421 417 HG22 ILE 54 2HG2 ILE 54 5.454 -1.055 -7.368 418 HG23 ILE 54 3HG2 ILE 54 7.014 -0.366 -7.876 419 HD11 ILE 54 1HD1 ILE 54 9.769 -3.505 -7.474 420 HD12 ILE 54 2HD1 ILE 54 8.235 -3.064 -8.261 421 HD13 ILE 54 3HD1 ILE 54 9.654 -2.000 -8.419 422 H LEU 55 H LEU 55 5.118 0.754 -4.431 423 HA LEU 55 HA LEU 55 2.942 -1.073 -3.806 424 HB2 LEU 55 1HB LEU 55 3.374 0.491 -2.107 425 HB3 LEU 55 2HB LEU 55 3.505 1.825 -3.236 426 HG LEU 55 HG LEU 55 1.396 1.616 -1.754 427 HD11 LEU 55 1HD1 LEU 55 1.886 3.047 -3.913 428 HD12 LEU 55 2HD1 LEU 55 0.658 1.977 -4.631 429 HD13 LEU 55 3HD1 LEU 55 0.253 2.967 -3.208 430 HD21 LEU 55 1HD2 LEU 55 0.956 -0.594 -3.739 431 HD22 LEU 55 2HD2 LEU 55 0.636 -0.553 -1.988 432 HD23 LEU 55 3HD2 LEU 55 -0.426 0.334 -3.107 433 H GLU 56 H GLU 56 1.630 -1.674 -5.440 434 HA GLU 56 HA GLU 56 1.257 0.269 -7.573 435 HB2 GLU 56 1HB GLU 56 1.375 -2.706 -7.451 436 HB3 GLU 56 2HB GLU 56 0.155 -2.061 -8.531 437 HG2 GLU 56 1HG GLU 56 1.945 -0.586 -9.575 438 HG3 GLU 56 2HG GLU 56 3.135 -1.392 -8.573 439 H MET 57 H MET 57 -0.734 1.211 -7.904 440 HA MET 57 HA MET 57 -2.840 0.292 -6.127 441 HB2 MET 57 1HB MET 57 -2.248 2.674 -5.931 442 HB3 MET 57 2HB MET 57 -2.347 2.896 -7.667 443 HG2 MET 57 1HG MET 57 -4.824 2.263 -7.521 444 HG3 MET 57 2HG MET 57 -4.667 2.285 -5.776 445 HE1 MET 57 1HE MET 57 -3.628 3.972 -8.869 446 HE2 MET 57 2HE MET 57 -5.064 5.021 -8.943 447 HE3 MET 57 3HE MET 57 -3.485 5.704 -8.487 448 H SER 58 H SER 58 -5.017 -0.049 -6.910 449 HA SER 58 HA SER 58 -5.124 -0.349 -9.809 450 HB2 SER 58 1HB SER 58 -5.118 -2.585 -9.175 451 HB3 SER 58 2HB SER 58 -5.849 -2.263 -7.615 452 HG SER 58 HG SER 58 -7.384 -1.822 -9.999 453 H GLU 59 H GLU 59 -6.370 1.428 -10.390 454 HA GLU 59 HA GLU 59 -8.428 2.355 -8.695 455 HB2 GLU 59 1HB GLU 59 -7.001 3.720 -10.348 456 HB3 GLU 59 2HB GLU 59 -8.014 3.072 -11.623 457 HG2 GLU 59 1HG GLU 59 -10.045 3.972 -10.401 458 HG3 GLU 59 2HG GLU 59 -8.972 4.708 -9.227 459 H ASN 60 H ASN 60 -10.194 1.034 -8.375 460 HA ASN 60 HA ASN 60 -11.961 -0.152 -8.785 461 HB2 ASN 60 1HB ASN 60 -11.802 1.557 -11.272 462 HB3 ASN 60 2HB ASN 60 -12.957 0.240 -11.280 463 HD21 ASN 60 1HD2 ASN 60 -12.446 3.414 -10.501 464 HD22 ASN 60 2HD2 ASN 60 -13.757 3.699 -9.406 465 H ASN 61 H ASN 61 -11.280 -0.183 -12.296 466 HA ASN 61 HA ASN 61 -10.501 -2.977 -12.011 467 HB2 ASN 61 1HB ASN 61 -12.167 -1.492 -14.063 468 HB3 ASN 61 2HB ASN 61 -11.278 -2.909 -14.586 469 HD21 ASN 61 1HD2 ASN 61 -13.933 -1.673 -12.794 470 HD22 ASN 61 2HD2 ASN 61 -14.657 -3.170 -12.308 471 H ALA 62 H ALA 62 -8.926 -0.287 -12.054 472 HA ALA 62 HA ALA 62 -7.577 -0.253 -14.570 473 HB1 ALA 62 1HB ALA 62 -5.998 1.224 -12.982 474 HB2 ALA 62 2HB ALA 62 -7.552 1.835 -13.598 475 HB3 ALA 62 3HB ALA 62 -7.444 1.185 -11.945 476 HA PRO 63 HA PRO 63 -4.564 -3.225 -13.673 477 HB2 PRO 63 1HB PRO 63 -2.584 -2.504 -15.414 478 HB3 PRO 63 2HB PRO 63 -3.996 -3.423 -15.896 479 HG2 PRO 63 1HG PRO 63 -3.385 -0.572 -16.384 480 HG3 PRO 63 2HG PRO 63 -4.548 -1.600 -17.197 481 HD2 PRO 63 1HD PRO 63 -5.111 0.398 -15.218 482 HD3 PRO 63 2HD PRO 63 -6.258 -0.709 -15.946 483 H TRP 64 H TRP 64 -2.852 -3.739 -12.347 484 HA TRP 64 HA TRP 64 -2.183 -1.979 -10.420 485 HB2 TRP 64 1HB TRP 64 -0.366 -4.102 -11.576 486 HB3 TRP 64 2HB TRP 64 -0.217 -3.364 -9.993 487 HD1 TRP 64 HD TRP 64 -1.551 -6.418 -11.461 488 HE1 TRP 64 1HE TRP 64 -3.316 -7.675 -9.955 489 HE3 TRP 64 3HE TRP 64 -2.425 -2.518 -8.318 490 HZ2 TRP 64 2HZ TRP 64 -4.846 -6.913 -7.669 491 HZ3 TRP 64 3HZ TRP 64 -4.070 -2.858 -6.475 492 HH2 TRP 64 HH TRP 64 -5.261 -4.963 -6.125 493 H THR 65 H THR 65 -1.433 0.089 -10.639 494 HA THR 65 HA THR 65 0.592 0.560 -12.726 495 HB THR 65 HB THR 65 -1.831 1.710 -12.619 496 HG1 THR 65 1HG THR 65 -0.217 2.327 -14.141 497 HG21 THR 65 1HG2 THR 65 -1.794 3.840 -11.444 498 HG22 THR 65 2HG2 THR 65 -1.387 2.594 -10.239 499 HG23 THR 65 3HG2 THR 65 -0.102 3.601 -10.948 500 H VAL 66 H VAL 66 2.623 0.805 -12.065 501 HA VAL 66 HA VAL 66 3.349 0.814 -9.399 502 HB VAL 66 HB VAL 66 4.830 1.812 -11.840 503 HG11 VAL 66 1HG1 VAL 66 5.645 1.458 -8.991 504 HG12 VAL 66 2HG1 VAL 66 6.797 0.945 -10.247 505 HG13 VAL 66 3HG1 VAL 66 6.209 2.625 -10.210 506 HG21 VAL 66 1HG2 VAL 66 4.099 -0.491 -12.103 507 HG22 VAL 66 2HG2 VAL 66 5.857 -0.447 -11.823 508 HG23 VAL 66 3HG2 VAL 66 4.757 -0.914 -10.504 509 H LEU 67 H LEU 67 2.477 2.310 -8.006 510 HA LEU 67 HA LEU 67 2.348 5.074 -8.838 511 HB2 LEU 67 1HB LEU 67 1.189 3.382 -6.725 512 HB3 LEU 67 2HB LEU 67 1.580 5.015 -6.222 513 HG LEU 67 HG LEU 67 -0.325 4.142 -8.397 514 HD11 LEU 67 1HD1 LEU 67 -1.010 4.239 -5.942 515 HD12 LEU 67 2HD1 LEU 67 -0.845 6.006 -6.080 516 HD13 LEU 67 3HD1 LEU 67 -2.015 5.138 -7.103 517 HD21 LEU 67 1HD2 LEU 67 -0.636 6.786 -8.493 518 HD22 LEU 67 2HD2 LEU 67 1.093 6.741 -8.074 519 HD23 LEU 67 3HD2 LEU 67 0.511 5.919 -9.542 520 H LEU 68 H LEU 68 3.758 3.283 -6.001 521 HA LEU 68 HA LEU 68 5.832 5.363 -5.950 522 HB2 LEU 68 1HB LEU 68 4.085 4.414 -3.943 523 HB3 LEU 68 2HB LEU 68 5.679 3.811 -3.537 524 HG LEU 68 HG LEU 68 5.013 6.719 -4.073 525 HD11 LEU 68 1HD1 LEU 68 4.098 5.461 -1.939 526 HD12 LEU 68 2HD1 LEU 68 5.767 5.698 -1.366 527 HD13 LEU 68 3HD1 LEU 68 4.777 7.103 -1.830 528 HD21 LEU 68 1HD2 LEU 68 7.188 7.175 -4.054 529 HD22 LEU 68 2HD2 LEU 68 7.451 6.200 -2.589 530 HD23 LEU 68 3HD2 LEU 68 7.482 5.425 -4.191 531 H ALA 69 H ALA 69 7.655 4.677 -6.935 532 HA ALA 69 HA ALA 69 8.207 1.834 -7.011 533 HB1 ALA 69 1HB ALA 69 8.792 4.185 -8.605 534 HB2 ALA 69 2HB ALA 69 10.297 3.322 -8.208 535 HB3 ALA 69 3HB ALA 69 8.970 2.465 -9.028 536 H SER 70 H SER 70 9.394 4.867 -5.517 537 HA SER 70 HA SER 70 11.413 3.263 -4.162 538 HB2 SER 70 1HB SER 70 12.739 4.974 -4.857 539 HB3 SER 70 2HB SER 70 11.368 5.993 -5.248 540 HG SER 70 HG SER 70 12.054 7.115 -3.543 541 H VAL 71 H VAL 71 10.396 2.442 -2.328 542 HA VAL 71 HA VAL 71 9.020 4.424 -0.648 543 HB VAL 71 HB VAL 71 8.429 1.547 -1.274 544 HG11 VAL 71 1HG1 VAL 71 6.771 1.610 0.628 545 HG12 VAL 71 2HG1 VAL 71 8.480 1.525 1.119 546 HG13 VAL 71 3HG1 VAL 71 7.603 3.070 1.215 547 HG21 VAL 71 1HG2 VAL 71 6.066 2.983 -1.009 548 HG22 VAL 71 2HG2 VAL 71 7.189 4.153 -1.742 549 HG23 VAL 71 3HG2 VAL 71 6.895 2.585 -2.533 550 H ASP 72 H ASP 72 9.354 4.232 1.664 551 HA ASP 72 HA ASP 72 12.010 3.631 2.262 552 HB2 ASP 72 1HB ASP 72 9.618 4.674 3.642 553 HB3 ASP 72 2HB ASP 72 10.620 3.709 4.707 554 HA PRO 73 HA PRO 73 11.350 -0.624 3.212 555 HB2 PRO 73 1HB PRO 73 13.853 -1.239 4.119 556 HB3 PRO 73 2HB PRO 73 13.431 -1.209 2.418 557 HG2 PRO 73 1HG PRO 73 14.994 0.759 3.974 558 HG3 PRO 73 2HG PRO 73 14.919 0.543 2.237 559 HD2 PRO 73 1HD PRO 73 13.621 2.592 3.769 560 HD3 PRO 73 2HD PRO 73 13.455 2.305 2.048 561 H LYS 74 H LYS 74 12.180 1.777 5.460 562 HA LYS 74 HA LYS 74 11.652 -0.077 7.657 563 HB2 LYS 74 1HB LYS 74 12.638 2.783 7.811 564 HB3 LYS 74 2HB LYS 74 12.622 1.590 9.094 565 HG2 LYS 74 1HG LYS 74 14.054 0.192 7.253 566 HG3 LYS 74 2HG LYS 74 14.459 1.814 6.727 567 HD2 LYS 74 1HD LYS 74 14.821 0.706 9.551 568 HD3 LYS 74 2HD LYS 74 16.102 0.998 8.392 569 HE2 LYS 74 1HE LYS 74 15.982 3.328 8.621 570 HE3 LYS 74 2HE LYS 74 14.286 3.309 9.061 571 HZ1 LYS 74 1HZ LYS 74 15.884 3.763 10.890 572 HZ2 LYS 74 2HZ LYS 74 14.820 2.563 11.198 573 HZ3 LYS 74 3HZ LYS 74 16.365 2.205 10.809 574 H ALA 75 H ALA 75 9.686 1.122 5.582 575 HA ALA 75 HA ALA 75 7.934 2.438 7.543 576 HB1 ALA 75 1HB ALA 75 8.727 3.111 4.844 577 HB2 ALA 75 2HB ALA 75 6.972 2.823 4.898 578 HB3 ALA 75 3HB ALA 75 7.709 4.032 5.976 579 H THR 76 H THR 76 5.881 1.587 7.899 580 HA THR 76 HA THR 76 5.318 -0.922 6.457 581 HB THR 76 HB THR 76 4.018 -1.323 8.746 582 HG1 THR 76 1HG THR 76 4.474 0.897 9.463 583 HG21 THR 76 1HG2 THR 76 6.678 -1.948 7.882 584 HG22 THR 76 2HG2 THR 76 6.813 -1.380 9.564 585 HG23 THR 76 3HG2 THR 76 5.749 -2.752 9.170 586 H SER 77 H SER 77 4.434 2.313 6.803 587 HA SER 77 HA SER 77 1.813 1.630 5.757 588 HB2 SER 77 1HB SER 77 0.948 3.707 7.045 589 HB3 SER 77 2HB SER 77 1.201 2.232 7.957 590 HG SER 77 HG SER 77 2.092 4.169 8.994 591 H VAL 78 H VAL 78 0.914 3.318 4.322 592 HA VAL 78 HA VAL 78 2.737 5.479 3.646 593 HB VAL 78 HB VAL 78 3.306 3.410 2.300 594 HG11 VAL 78 1HG1 VAL 78 1.729 3.180 0.247 595 HG12 VAL 78 2HG1 VAL 78 1.277 2.385 1.774 596 HG13 VAL 78 3HG1 VAL 78 0.505 3.919 1.307 597 HG21 VAL 78 1HG2 VAL 78 2.479 5.405 0.283 598 HG22 VAL 78 2HG2 VAL 78 3.388 6.065 1.663 599 HG23 VAL 78 3HG2 VAL 78 4.092 4.764 0.674 600 H THR 79 H THR 79 1.666 7.146 2.305 601 HA THR 79 HA THR 79 -1.263 6.995 2.600 602 HB THR 79 HB THR 79 0.600 9.422 2.771 603 HG1 THR 79 1HG THR 79 0.137 9.121 5.046 604 HG21 THR 79 1HG2 THR 79 -1.302 10.692 3.359 605 HG22 THR 79 2HG2 THR 79 -1.978 9.632 2.099 606 HG23 THR 79 3HG2 THR 79 -2.240 9.250 3.817 607 H VAL 80 H VAL 80 -2.360 6.868 0.756 608 HA VAL 80 HA VAL 80 -0.966 7.675 -1.677 609 HB VAL 80 HB VAL 80 -3.527 6.115 -1.288 610 HG11 VAL 80 1HG1 VAL 80 -2.052 7.096 -3.658 611 HG12 VAL 80 2HG1 VAL 80 -2.544 5.386 -3.723 612 HG13 VAL 80 3HG1 VAL 80 -3.766 6.655 -3.470 613 HG21 VAL 80 1HG2 VAL 80 -2.143 4.505 -0.530 614 HG22 VAL 80 2HG2 VAL 80 -1.682 4.329 -2.240 615 HG23 VAL 80 3HG2 VAL 80 -0.688 5.323 -1.149 616 H LYS 81 H LYS 81 -1.184 9.844 -2.039 617 HA LYS 81 HA LYS 81 -3.875 10.954 -1.664 618 HB2 LYS 81 1HB LYS 81 -1.125 12.190 -1.482 619 HB3 LYS 81 2HB LYS 81 -2.561 13.169 -1.701 620 HG2 LYS 81 1HG LYS 81 -3.480 12.533 0.394 621 HG3 LYS 81 2HG LYS 81 -2.505 11.081 0.495 622 HD2 LYS 81 1HD LYS 81 -1.164 13.803 0.468 623 HD3 LYS 81 2HD LYS 81 -1.860 13.188 1.954 624 HE2 LYS 81 1HE LYS 81 -0.465 10.974 1.203 625 HE3 LYS 81 2HE LYS 81 0.519 12.191 0.414 626 HZ1 LYS 81 1HZ LYS 81 1.167 11.709 2.713 627 HZ2 LYS 81 2HZ LYS 81 0.815 13.287 2.479 628 HZ3 LYS 81 3HZ LYS 81 -0.253 12.318 3.245 629 H GLY 82 H GLY 82 -4.766 12.300 -3.335 630 HA2 GLY 82 1HA GLY 82 -4.647 13.295 -5.468 631 HA3 GLY 82 2HA GLY 82 -3.360 12.193 -5.918 632 H LEU 83 H LEU 83 -6.167 10.984 -4.113 633 HA LEU 83 HA LEU 83 -6.838 9.338 -6.404 634 HB2 LEU 83 1HB LEU 83 -7.188 9.221 -3.477 635 HB3 LEU 83 2HB LEU 83 -8.526 8.584 -4.412 636 HG LEU 83 HG LEU 83 -7.272 6.851 -5.311 637 HD11 LEU 83 1HD1 LEU 83 -5.444 7.978 -6.290 638 HD12 LEU 83 2HD1 LEU 83 -4.821 8.511 -4.711 639 HD13 LEU 83 3HD1 LEU 83 -4.739 6.793 -5.166 640 HD21 LEU 83 1HD2 LEU 83 -6.767 5.652 -3.475 641 HD22 LEU 83 2HD2 LEU 83 -5.636 6.876 -2.849 642 HD23 LEU 83 3HD2 LEU 83 -7.389 7.080 -2.614 643 H VAL 84 H VAL 84 -9.210 9.024 -6.942 644 HA VAL 84 HA VAL 84 -10.419 11.670 -7.093 645 HB VAL 84 HB VAL 84 -10.893 9.068 -8.554 646 HG11 VAL 84 1HG1 VAL 84 -12.957 10.594 -8.098 647 HG12 VAL 84 2HG1 VAL 84 -12.212 11.671 -9.303 648 HG13 VAL 84 3HG1 VAL 84 -12.656 10.007 -9.751 649 HG21 VAL 84 1HG2 VAL 84 -9.411 11.597 -9.141 650 HG22 VAL 84 2HG2 VAL 84 -9.018 9.913 -9.561 651 HG23 VAL 84 3HG2 VAL 84 -10.258 10.793 -10.485 652 HA PRO 85 HA PRO 85 -13.402 10.596 -4.150 653 HB2 PRO 85 1HB PRO 85 -15.279 12.520 -4.643 654 HB3 PRO 85 2HB PRO 85 -13.838 12.810 -3.689 655 HG2 PRO 85 1HG PRO 85 -14.431 13.660 -6.458 656 HG3 PRO 85 2HG PRO 85 -13.218 14.280 -5.355 657 HD2 PRO 85 1HD PRO 85 -12.779 12.517 -7.575 658 HD3 PRO 85 2HD PRO 85 -11.587 13.044 -6.403 659 H ALA 86 H ALA 86 -15.263 9.400 -3.757 660 HA ALA 86 HA ALA 86 -16.886 8.006 -4.318 661 HB1 ALA 86 1HB ALA 86 -17.852 8.959 -6.810 662 HB2 ALA 86 2HB ALA 86 -18.515 9.282 -5.190 663 HB3 ALA 86 3HB ALA 86 -17.317 10.391 -5.898 664 H ARG 87 H ARG 87 -14.414 7.028 -4.837 665 HA ARG 87 HA ARG 87 -14.979 5.366 -7.082 666 HB2 ARG 87 1HB ARG 87 -12.687 7.348 -7.061 667 HB3 ARG 87 2HB ARG 87 -12.449 5.800 -7.847 668 HG2 ARG 87 1HG ARG 87 -14.780 6.360 -9.012 669 HG3 ARG 87 2HG ARG 87 -14.391 8.009 -8.564 670 HD2 ARG 87 1HD ARG 87 -12.161 7.765 -9.731 671 HD3 ARG 87 2HD ARG 87 -12.627 6.154 -10.237 672 HE ARG 87 HE ARG 87 -13.596 8.678 -11.350 673 HH11 ARG 87 2HH2 ARG 87 -14.347 5.269 -10.903 674 HH12 ARG 87 1HH2 ARG 87 -15.431 5.200 -12.253 675 HH21 ARG 87 2HH1 ARG 87 -15.025 8.587 -13.131 676 HH22 ARG 87 1HH1 ARG 87 -15.819 7.100 -13.528 677 H SER 88 H SER 88 -13.822 3.332 -6.948 678 HA SER 88 HA SER 88 -12.813 2.849 -4.319 679 HB2 SER 88 1HB SER 88 -13.279 1.033 -6.723 680 HB3 SER 88 2HB SER 88 -12.668 0.452 -5.187 681 HG SER 88 HG SER 88 -14.999 0.222 -5.385 682 H TYR 89 H TYR 89 -10.676 1.969 -3.848 683 HA TYR 89 HA TYR 89 -8.751 2.039 -6.030 684 HB2 TYR 89 1HB TYR 89 -8.943 3.795 -3.535 685 HB3 TYR 89 2HB TYR 89 -7.352 3.397 -4.153 686 HD1 TYR 89 2HD TYR 89 -7.003 3.869 -6.746 687 HD2 TYR 89 1HD TYR 89 -10.007 5.711 -4.321 688 HE1 TYR 89 2HE TYR 89 -7.174 5.789 -8.404 689 HE2 TYR 89 1HE TYR 89 -10.168 7.625 -5.986 690 HH TYR 89 HH TYR 89 -8.100 7.675 -8.879 691 H GLN 90 H GLN 90 -7.307 0.384 -5.851 692 HA GLN 90 HA GLN 90 -7.279 -0.963 -3.268 693 HB2 GLN 90 1HB GLN 90 -7.136 -1.922 -6.110 694 HB3 GLN 90 2HB GLN 90 -6.220 -2.825 -4.920 695 HG2 GLN 90 1HG GLN 90 -8.326 -2.985 -3.506 696 HG3 GLN 90 2HG GLN 90 -9.211 -2.213 -4.807 697 HE21 GLN 90 1HE2 GLN 90 -9.778 -4.751 -3.789 698 HE22 GLN 90 2HE2 GLN 90 -9.511 -5.946 -5.014 699 H PHE 91 H PHE 91 -5.124 -2.097 -2.738 700 HA PHE 91 HA PHE 91 -2.835 -0.757 -3.925 701 HB2 PHE 91 1HB PHE 91 -3.726 -0.747 -0.984 702 HB3 PHE 91 2HB PHE 91 -2.073 -0.389 -1.441 703 HD1 PHE 91 1HD PHE 91 -2.776 1.159 -4.002 704 HD2 PHE 91 2HD PHE 91 -4.259 1.361 -0.031 705 HE1 PHE 91 1HE PHE 91 -3.396 3.565 -4.356 706 HE2 PHE 91 2HE PHE 91 -4.878 3.767 -0.385 707 HZ PHE 91 HZ PHE 91 -4.439 4.841 -2.543 708 H ARG 92 H ARG 92 -0.858 -1.926 -3.677 709 HA ARG 92 HA ARG 92 -0.758 -4.178 -2.003 710 HB2 ARG 92 1HB ARG 92 -0.422 -5.839 -3.955 711 HB3 ARG 92 2HB ARG 92 -2.073 -5.346 -3.635 712 HG2 ARG 92 1HG ARG 92 -2.208 -4.020 -5.559 713 HG3 ARG 92 2HG ARG 92 -0.488 -3.685 -5.586 714 HD2 ARG 92 1HD ARG 92 -0.746 -6.517 -5.908 715 HD3 ARG 92 2HD ARG 92 -1.954 -5.798 -6.955 716 HE ARG 92 HE ARG 92 0.218 -4.255 -7.539 717 HH11 ARG 92 2HH2 ARG 92 -0.141 -7.746 -7.280 718 HH12 ARG 92 1HH2 ARG 92 1.106 -8.087 -8.433 719 HH21 ARG 92 2HH1 ARG 92 1.862 -4.705 -9.060 720 HH22 ARG 92 1HH1 ARG 92 2.252 -6.346 -9.453 721 H LEU 93 H LEU 93 1.353 -3.935 -1.332 722 HA LEU 93 HA LEU 93 3.328 -3.290 -3.411 723 HB2 LEU 93 1HB LEU 93 4.601 -2.122 -1.718 724 HB3 LEU 93 2HB LEU 93 3.005 -1.426 -1.916 725 HG LEU 93 HG LEU 93 3.574 -3.405 0.288 726 HD11 LEU 93 1HD1 LEU 93 4.111 -1.591 1.796 727 HD12 LEU 93 2HD1 LEU 93 5.256 -1.601 0.433 728 HD13 LEU 93 3HD1 LEU 93 3.940 -0.403 0.481 729 HD21 LEU 93 1HD2 LEU 93 1.753 -1.501 1.155 730 HD22 LEU 93 2HD2 LEU 93 1.317 -1.763 -0.551 731 HD23 LEU 93 3HD2 LEU 93 1.381 -3.142 0.573 732 H CYS 94 H CYS 94 5.496 -4.240 -3.081 733 HA CYS 94 HA CYS 94 5.296 -6.728 -1.545 734 HB2 CYS 94 1HB CYS 94 6.767 -7.773 -3.248 735 HB3 CYS 94 2HB CYS 94 5.210 -7.290 -3.890 736 HG CYS 94 HG CYS 94 7.657 -6.852 -5.314 737 H ALA 95 H ALA 95 7.755 -7.585 -1.231 738 HA ALA 95 HA ALA 95 9.212 -5.275 -0.171 739 HB1 ALA 95 1HB ALA 95 9.135 -8.229 0.524 740 HB2 ALA 95 2HB ALA 95 10.391 -7.133 1.149 741 HB3 ALA 95 3HB ALA 95 8.679 -6.843 1.543 742 H VAL 96 H VAL 96 11.114 -4.654 -1.087 743 HA VAL 96 HA VAL 96 12.399 -6.596 -2.877 744 HB VAL 96 HB VAL 96 12.095 -3.618 -3.313 745 HG11 VAL 96 1HG1 VAL 96 12.834 -4.843 -5.706 746 HG12 VAL 96 2HG1 VAL 96 13.876 -3.865 -4.645 747 HG13 VAL 96 3HG1 VAL 96 13.848 -5.637 -4.478 748 HG21 VAL 96 1HG2 VAL 96 10.889 -5.633 -5.161 749 HG22 VAL 96 2HG2 VAL 96 10.068 -5.328 -3.611 750 HG23 VAL 96 3HG2 VAL 96 10.351 -3.988 -4.747 751 H ASN 97 H ASN 97 14.464 -7.045 -2.307 752 HA ASN 97 HA ASN 97 15.842 -4.986 -0.777 753 HB2 ASN 97 1HB ASN 97 16.999 -7.140 0.317 754 HB3 ASN 97 2HB ASN 97 15.484 -6.530 0.954 755 HD21 ASN 97 1HD2 ASN 97 15.790 -8.947 1.624 756 HD22 ASN 97 2HD2 ASN 97 14.927 -10.102 0.664 757 H ASP 98 H ASP 98 18.369 -6.094 -0.590 758 HA ASP 98 HA ASP 98 19.429 -5.751 -3.061 759 HB2 ASP 98 1HB ASP 98 20.722 -5.709 -0.944 760 HB3 ASP 98 2HB ASP 98 20.484 -7.433 -0.740 761 H VAL 99 H VAL 99 18.788 -8.855 -1.259 762 HA VAL 99 HA VAL 99 19.690 -10.670 -3.049 763 HB VAL 99 HB VAL 99 18.246 -12.225 -2.017 764 HG11 VAL 99 1HG1 VAL 99 18.253 -10.544 0.364 765 HG12 VAL 99 2HG1 VAL 99 19.191 -12.012 -0.001 766 HG13 VAL 99 3HG1 VAL 99 19.782 -10.422 -0.539 767 HG21 VAL 99 1HG2 VAL 99 16.071 -11.433 -2.273 768 HG22 VAL 99 2HG2 VAL 99 16.325 -11.306 -0.516 769 HG23 VAL 99 3HG2 VAL 99 16.447 -9.855 -1.540 770 H GLY 100 H GLY 100 16.574 -8.859 -3.132 771 HA2 GLY 100 1HA GLY 100 16.290 -8.526 -5.771 772 HA3 GLY 100 2HA GLY 100 15.768 -10.189 -5.584 773 H LYS 101 H LYS 101 13.562 -9.802 -6.076 774 HA LYS 101 HA LYS 101 12.175 -8.111 -4.114 775 HB2 LYS 101 1HB LYS 101 11.864 -7.089 -6.205 776 HB3 LYS 101 2HB LYS 101 11.677 -8.617 -7.042 777 HG2 LYS 101 1HG LYS 101 9.573 -8.949 -5.487 778 HG3 LYS 101 2HG LYS 101 9.698 -7.223 -5.210 779 HD2 LYS 101 1HD LYS 101 9.370 -8.600 -7.916 780 HD3 LYS 101 2HD LYS 101 8.154 -7.656 -7.078 781 HE2 LYS 101 1HE LYS 101 10.567 -6.060 -7.309 782 HE3 LYS 101 2HE LYS 101 10.180 -6.719 -8.886 783 HZ1 LYS 101 1HZ LYS 101 8.939 -4.807 -8.751 784 HZ2 LYS 101 2HZ LYS 101 7.837 -5.942 -8.347 785 HZ3 LYS 101 3HZ LYS 101 8.523 -5.021 -7.186 786 H GLY 102 H GLY 102 10.205 -8.916 -3.196 787 HA2 GLY 102 1HA GLY 102 10.141 -11.849 -3.133 788 HA3 GLY 102 2HA GLY 102 9.455 -10.750 -1.953 789 H GLN 103 H GLN 103 7.280 -10.330 -2.043 790 HA GLN 103 HA GLN 103 5.988 -10.536 -4.614 791 HB2 GLN 103 1HB GLN 103 4.158 -11.975 -3.599 792 HB3 GLN 103 2HB GLN 103 5.691 -12.791 -3.834 793 HG2 GLN 103 1HG GLN 103 6.054 -13.048 -1.580 794 HG3 GLN 103 2HG GLN 103 5.454 -11.448 -1.195 795 HE21 GLN 103 1HE2 GLN 103 2.955 -11.380 -2.135 796 HE22 GLN 103 2HE2 GLN 103 1.934 -12.552 -1.370 797 H PHE 104 H PHE 104 3.646 -9.708 -4.470 798 HA PHE 104 HA PHE 104 3.661 -7.432 -2.666 799 HB2 PHE 104 1HB PHE 104 1.916 -8.350 -5.030 800 HB3 PHE 104 2HB PHE 104 1.673 -6.827 -4.197 801 HD1 PHE 104 1HD PHE 104 4.334 -8.723 -5.998 802 HD2 PHE 104 2HD PHE 104 2.714 -4.927 -5.011 803 HE1 PHE 104 1HE PHE 104 5.984 -7.619 -7.534 804 HE2 PHE 104 2HE PHE 104 4.364 -3.823 -6.547 805 HZ PHE 104 HZ PHE 104 5.979 -5.182 -7.790 806 H SER 105 H SER 105 1.672 -6.819 -1.479 807 HA SER 105 HA SER 105 0.573 -9.148 -0.252 808 HB2 SER 105 1HB SER 105 -0.631 -7.374 1.171 809 HB3 SER 105 2HB SER 105 1.119 -7.398 1.262 810 HG SER 105 HG SER 105 -0.605 -5.504 -0.016 811 H LYS 106 H LYS 106 -1.706 -9.692 -0.169 812 HA LYS 106 HA LYS 106 -3.066 -9.580 -2.513 813 HB2 LYS 106 1HB LYS 106 -3.980 -9.931 0.340 814 HB3 LYS 106 2HB LYS 106 -5.122 -9.983 -0.987 815 HG2 LYS 106 1HG LYS 106 -3.817 -11.800 -2.071 816 HG3 LYS 106 2HG LYS 106 -2.616 -11.721 -0.798 817 HD2 LYS 106 1HD LYS 106 -5.551 -12.494 -0.464 818 HD3 LYS 106 2HD LYS 106 -4.178 -13.578 -0.366 819 HE2 LYS 106 1HE LYS 106 -3.564 -11.523 1.475 820 HE3 LYS 106 2HE LYS 106 -5.283 -11.788 1.689 821 HZ1 LYS 106 1HZ LYS 106 -3.242 -13.359 2.616 822 HZ2 LYS 106 2HZ LYS 106 -4.842 -13.678 2.699 823 HZ3 LYS 106 3HZ LYS 106 -3.960 -14.245 1.447 824 H ASP 107 H ASP 107 -5.291 -8.488 -2.895 825 HA ASP 107 HA ASP 107 -4.787 -5.723 -2.893 826 HB2 ASP 107 1HB ASP 107 -7.244 -5.698 -3.779 827 HB3 ASP 107 2HB ASP 107 -6.017 -6.481 -4.754 828 H THR 108 H THR 108 -5.144 -4.421 -1.089 829 HA THR 108 HA THR 108 -6.366 -5.193 1.233 830 HB THR 108 HB THR 108 -6.557 -2.622 1.544 831 HG1 THR 108 1HG THR 108 -6.346 -1.534 -0.374 832 HG21 THR 108 1HG2 THR 108 -4.003 -2.271 1.027 833 HG22 THR 108 2HG2 THR 108 -4.442 -3.479 2.260 834 HG23 THR 108 3HG2 THR 108 -4.005 -4.003 0.616 835 H GLU 109 H GLU 109 -8.363 -3.916 2.210 836 HA GLU 109 HA GLU 109 -10.560 -4.999 0.877 837 HB2 GLU 109 1HB GLU 109 -11.124 -4.861 3.078 838 HB3 GLU 109 2HB GLU 109 -10.023 -3.531 3.377 839 HG2 GLU 109 1HG GLU 109 -11.612 -1.893 2.623 840 HG3 GLU 109 2HG GLU 109 -12.616 -3.101 1.845 841 H ARG 110 H ARG 110 -11.947 -4.152 -0.644 842 HA ARG 110 HA ARG 110 -11.353 -2.191 -2.257 843 HB2 ARG 110 1HB ARG 110 -13.566 -3.752 -1.918 844 HB3 ARG 110 2HB ARG 110 -14.253 -2.209 -1.451 845 HG2 ARG 110 1HG ARG 110 -12.969 -1.405 -3.701 846 HG3 ARG 110 2HG ARG 110 -13.198 -3.090 -4.126 847 HD2 ARG 110 1HD ARG 110 -15.693 -2.715 -3.376 848 HD3 ARG 110 2HD ARG 110 -15.322 -1.007 -3.500 849 HE ARG 110 HE ARG 110 -14.432 -2.343 -5.885 850 HH11 ARG 110 2HH2 ARG 110 -17.383 -1.322 -4.265 851 HH12 ARG 110 1HH2 ARG 110 -18.289 -1.171 -5.733 852 HH21 ARG 110 2HH1 ARG 110 -15.626 -2.144 -7.823 853 HH22 ARG 110 1HH1 ARG 110 -17.283 -1.642 -7.771 854 H VAL 111 H VAL 111 -10.436 -0.251 -1.503 855 HA VAL 111 HA VAL 111 -11.827 1.214 0.575 856 HB VAL 111 HB VAL 111 -9.295 1.891 -0.931 857 HG11 VAL 111 1HG1 VAL 111 -10.693 3.018 1.475 858 HG12 VAL 111 2HG1 VAL 111 -8.915 3.063 1.402 859 HG13 VAL 111 3HG1 VAL 111 -9.879 3.855 0.132 860 HG21 VAL 111 1HG2 VAL 111 -8.215 1.006 1.245 861 HG22 VAL 111 2HG2 VAL 111 -9.757 0.155 1.496 862 HG23 VAL 111 3HG2 VAL 111 -8.783 -0.178 0.044 863 H SER 112 H SER 112 -13.408 2.645 0.113 864 HA SER 112 HA SER 112 -13.452 3.667 -2.610 865 HB2 SER 112 1HB SER 112 -15.578 3.120 -0.538 866 HB3 SER 112 2HB SER 112 -15.884 4.354 -1.744 867 HG SER 112 HG SER 112 -14.901 2.269 -3.105 868 H LEU 113 H LEU 113 -13.519 5.928 -3.003 869 HA LEU 113 HA LEU 113 -12.708 7.532 -0.721 870 HB2 LEU 113 1HB LEU 113 -11.973 7.397 -3.426 871 HB3 LEU 113 2HB LEU 113 -12.827 8.917 -3.253 872 HG LEU 113 HG LEU 113 -11.111 8.857 -1.049 873 HD11 LEU 113 1HD1 LEU 113 -9.695 7.155 -1.679 874 HD12 LEU 113 2HD1 LEU 113 -9.868 7.500 -3.417 875 HD13 LEU 113 3HD1 LEU 113 -8.881 8.569 -2.391 876 HD21 LEU 113 1HD2 LEU 113 -11.006 10.934 -1.823 877 HD22 LEU 113 2HD2 LEU 113 -9.837 10.367 -3.040 878 HD23 LEU 113 3HD2 LEU 113 -11.572 10.425 -3.432 879 HA PRO 114 HA PRO 114 -16.504 9.556 -0.395 880 HB2 PRO 114 1HB PRO 114 -15.790 12.042 0.486 881 HB3 PRO 114 2HB PRO 114 -15.865 10.639 1.534 882 HG2 PRO 114 1HG PRO 114 -13.486 12.002 0.429 883 HG3 PRO 114 2HG PRO 114 -13.586 10.895 1.784 884 HD2 PRO 114 1HD PRO 114 -12.625 10.299 -0.852 885 HD3 PRO 114 2HD PRO 114 -12.834 9.166 0.469 886 H GLU 115 H GLU 115 -18.096 10.677 -1.473 887 HA GLU 115 HA GLU 115 -17.380 11.366 -4.068 888 HB2 GLU 115 1HB GLU 115 -19.695 10.676 -2.969 889 HB3 GLU 115 2HB GLU 115 -19.903 12.404 -2.764 890 HG2 GLU 115 1HG GLU 115 -19.687 12.801 -5.156 891 HG3 GLU 115 2HG GLU 115 -19.160 11.155 -5.446 892 H SER 116 H SER 116 -17.693 13.542 -5.127 893 HA SER 116 HA SER 116 -17.750 15.835 -3.523 894 HB2 SER 116 1HB SER 116 -15.384 14.960 -3.091 895 HB3 SER 116 2HB SER 116 -15.039 15.249 -4.784 896 HG SER 116 HG SER 116 -15.159 17.437 -4.500 897 H GLY 117 H GLY 117 -16.235 14.543 -6.574 898 HA2 GLY 117 1HA GLY 117 -16.286 15.342 -8.690 899 HA3 GLY 117 2HA GLY 117 -18.016 15.383 -8.413 900 HA PRO 118 HA PRO 118 -16.916 19.659 -9.254 901 HB2 PRO 118 1HB PRO 118 -19.005 20.211 -10.928 902 HB3 PRO 118 2HB PRO 118 -17.444 19.652 -11.495 903 HG2 PRO 118 1HG PRO 118 -19.983 18.153 -11.280 904 HG3 PRO 118 2HG PRO 118 -18.554 17.764 -12.217 905 HD2 PRO 118 1HD PRO 118 -19.362 16.562 -9.741 906 HD3 PRO 118 2HD PRO 118 -17.877 16.256 -10.619 907 H SER 119 H SER 119 -17.548 19.329 -6.825 908 HA SER 119 HA SER 119 -19.998 20.890 -6.558 909 HB2 SER 119 1HB SER 119 -20.289 18.567 -5.727 910 HB3 SER 119 2HB SER 119 -18.909 18.761 -4.664 911 HG SER 119 HG SER 119 -20.284 20.759 -3.886 912 H SER 120 H SER 120 -18.640 22.840 -6.671 913 HA SER 120 HA SER 120 -16.903 23.125 -4.351 914 HB2 SER 120 1HB SER 120 -16.593 23.833 -7.121 915 HB3 SER 120 2HB SER 120 -16.648 25.326 -6.204 916 HG SER 120 HG SER 120 -15.038 23.242 -5.135 917 H GLY 121 H GLY 121 -17.138 24.995 -2.977 918 HA2 GLY 121 1HA GLY 121 -18.489 27.249 -3.173 919 HA3 GLY 121 2HA GLY 121 -19.831 26.129 -3.040 Start of MODEL 19 1 H1 GLY 1 H GLY 1 0.364 -24.363 -4.667 2 HA2 GLY 1 1HA GLY 1 2.924 -23.692 -4.055 3 HA3 GLY 1 2HA GLY 1 2.452 -25.205 -4.804 4 H SER 2 H SER 2 4.944 -24.379 -5.436 5 HA SER 2 HA SER 2 4.586 -23.567 -8.192 6 HB2 SER 2 1HB SER 2 6.614 -22.076 -8.014 7 HB3 SER 2 2HB SER 2 5.217 -21.485 -7.137 8 HG SER 2 HG SER 2 7.671 -22.540 -6.145 9 H SER 3 H SER 3 6.924 -24.635 -5.622 10 HA SER 3 HA SER 3 7.589 -26.918 -7.124 11 HB2 SER 3 1HB SER 3 9.820 -24.866 -6.808 12 HB3 SER 3 2HB SER 3 9.941 -26.434 -7.583 13 HG SER 3 HG SER 3 9.680 -24.581 -9.073 14 H GLY 4 H GLY 4 9.461 -28.157 -5.934 15 HA2 GLY 4 1HA GLY 4 10.745 -27.941 -3.762 16 HA3 GLY 4 2HA GLY 4 9.181 -27.611 -3.044 17 H SER 5 H SER 5 11.398 -30.058 -4.091 18 HA SER 5 HA SER 5 9.846 -32.054 -2.897 19 HB2 SER 5 1HB SER 5 8.567 -31.987 -4.991 20 HB3 SER 5 2HB SER 5 10.036 -32.113 -5.940 21 HG SER 5 HG SER 5 9.675 -34.222 -5.856 22 H SER 6 H SER 6 11.828 -32.361 -1.743 23 HA SER 6 HA SER 6 13.591 -34.149 -2.952 24 HB2 SER 6 1HB SER 6 14.235 -31.399 -3.402 25 HB3 SER 6 2HB SER 6 15.376 -31.985 -2.207 26 HG SER 6 HG SER 6 16.411 -32.943 -3.806 27 H GLY 7 H GLY 7 13.614 -31.452 -0.499 28 HA2 GLY 7 1HA GLY 7 13.295 -33.095 1.733 29 HA3 GLY 7 2HA GLY 7 15.017 -32.910 1.466 30 H ARG 8 H ARG 8 14.841 -31.790 3.653 31 HA ARG 8 HA ARG 8 14.573 -28.979 3.125 32 HB2 ARG 8 1HB ARG 8 12.612 -30.484 4.662 33 HB3 ARG 8 2HB ARG 8 13.437 -29.371 5.736 34 HG2 ARG 8 1HG ARG 8 12.634 -28.236 3.086 35 HG3 ARG 8 2HG ARG 8 11.309 -28.672 4.148 36 HD2 ARG 8 1HD ARG 8 13.171 -27.352 5.833 37 HD3 ARG 8 2HD ARG 8 13.175 -26.417 4.351 38 HE ARG 8 HE ARG 8 10.948 -25.771 4.757 39 HH11 ARG 8 2HH2 ARG 8 11.839 -28.403 6.918 40 HH12 ARG 8 1HH2 ARG 8 10.411 -28.259 7.888 41 HH21 ARG 8 2HH1 ARG 8 9.065 -25.582 6.037 42 HH22 ARG 8 1HH1 ARG 8 8.823 -26.644 7.384 43 H SER 9 H SER 9 16.729 -28.491 3.560 44 HA SER 9 HA SER 9 17.641 -29.237 6.221 45 HB2 SER 9 1HB SER 9 19.378 -29.273 3.713 46 HB3 SER 9 2HB SER 9 19.906 -29.665 5.337 47 HG SER 9 HG SER 9 18.569 -31.245 3.483 48 H ALA 10 H ALA 10 18.300 -27.455 7.380 49 HA ALA 10 HA ALA 10 18.852 -25.023 5.825 50 HB1 ALA 10 1HB ALA 10 16.870 -24.786 7.184 51 HB2 ALA 10 2HB ALA 10 17.703 -25.455 8.608 52 HB3 ALA 10 3HB ALA 10 18.176 -23.864 7.966 53 H HIS 11 H HIS 11 20.706 -23.787 6.325 54 HA HIS 11 HA HIS 11 22.349 -24.438 8.522 55 HB2 HIS 11 1HB HIS 11 22.771 -26.402 7.014 56 HB3 HIS 11 2HB HIS 11 23.409 -25.294 5.816 57 HD1 HIS 11 1HD HIS 11 25.896 -25.326 5.837 58 HD2 HIS 11 2HD HIS 11 24.296 -25.758 9.690 59 HE1 HIS 11 1HE HIS 11 27.887 -25.504 7.422 60 H LEU 12 H LEU 12 22.885 -22.386 9.070 61 HA LEU 12 HA LEU 12 23.607 -20.306 8.923 62 HB2 LEU 12 1HB LEU 12 25.036 -21.617 6.663 63 HB3 LEU 12 2HB LEU 12 25.075 -19.867 6.746 64 HG LEU 12 HG LEU 12 25.913 -20.115 9.139 65 HD11 LEU 12 1HD1 LEU 12 27.087 -22.721 8.728 66 HD12 LEU 12 2HD1 LEU 12 26.132 -22.104 10.097 67 HD13 LEU 12 3HD1 LEU 12 25.311 -22.818 8.689 68 HD21 LEU 12 1HD2 LEU 12 28.222 -21.107 8.078 69 HD22 LEU 12 2HD2 LEU 12 27.351 -20.592 6.614 70 HD23 LEU 12 3HD2 LEU 12 27.664 -19.424 7.920 71 H ARG 13 H ARG 13 22.937 -18.254 8.143 72 HA ARG 13 HA ARG 13 20.553 -18.398 6.667 73 HB2 ARG 13 1HB ARG 13 22.241 -16.064 7.683 74 HB3 ARG 13 2HB ARG 13 20.730 -15.817 6.831 75 HG2 ARG 13 1HG ARG 13 19.752 -15.969 8.887 76 HG3 ARG 13 2HG ARG 13 19.972 -17.699 8.712 77 HD2 ARG 13 1HD ARG 13 22.176 -17.556 9.868 78 HD3 ARG 13 2HD ARG 13 22.009 -15.817 10.002 79 HE ARG 13 HE ARG 13 19.692 -17.091 11.141 80 HH11 ARG 13 2HH2 ARG 13 23.101 -16.511 11.791 81 HH12 ARG 13 1HH2 ARG 13 22.918 -16.590 13.512 82 HH21 ARG 13 2HH1 ARG 13 19.449 -17.196 13.411 83 HH22 ARG 13 1HH1 ARG 13 20.826 -16.983 14.439 84 H VAL 14 H VAL 14 20.127 -17.749 4.505 85 HA VAL 14 HA VAL 14 22.513 -17.043 2.940 86 HB VAL 14 HB VAL 14 20.968 -18.215 1.106 87 HG11 VAL 14 1HG1 VAL 14 23.363 -18.713 1.884 88 HG12 VAL 14 2HG1 VAL 14 22.635 -19.940 2.947 89 HG13 VAL 14 3HG1 VAL 14 22.434 -20.059 1.182 90 HG21 VAL 14 1HG2 VAL 14 20.196 -19.519 3.729 91 HG22 VAL 14 2HG2 VAL 14 19.128 -18.845 2.476 92 HG23 VAL 14 3HG2 VAL 14 20.045 -20.336 2.155 93 H ARG 15 H ARG 15 22.071 -15.692 1.017 94 HA ARG 15 HA ARG 15 20.260 -13.658 1.723 95 HB2 ARG 15 1HB ARG 15 22.262 -14.159 -0.460 96 HB3 ARG 15 2HB ARG 15 20.997 -13.004 -0.832 97 HG2 ARG 15 1HG ARG 15 21.557 -11.829 1.381 98 HG3 ARG 15 2HG ARG 15 22.948 -12.887 1.512 99 HD2 ARG 15 1HD ARG 15 22.787 -11.640 -1.153 100 HD3 ARG 15 2HD ARG 15 22.837 -10.436 0.120 101 HE ARG 15 HE ARG 15 24.809 -12.393 0.734 102 HH11 ARG 15 2HH2 ARG 15 24.174 -9.956 -1.725 103 HH12 ARG 15 1HH2 ARG 15 25.849 -9.695 -2.080 104 HH21 ARG 15 2HH1 ARG 15 27.019 -12.048 0.266 105 HH22 ARG 15 1HH1 ARG 15 27.478 -10.893 -0.940 106 H GLN 16 H GLN 16 18.211 -14.926 1.723 107 HA GLN 16 HA GLN 16 17.359 -15.816 -0.888 108 HB2 GLN 16 1HB GLN 16 15.391 -16.737 0.362 109 HB3 GLN 16 2HB GLN 16 16.924 -17.340 0.958 110 HG2 GLN 16 1HG GLN 16 16.462 -14.969 2.442 111 HG3 GLN 16 2HG GLN 16 14.895 -15.749 2.352 112 HE21 GLN 16 1HE2 GLN 16 18.243 -16.957 2.510 113 HE22 GLN 16 2HE2 GLN 16 18.048 -17.966 3.904 114 H LEU 17 H LEU 17 14.882 -15.299 -1.370 115 HA LEU 17 HA LEU 17 14.726 -12.426 -1.412 116 HB2 LEU 17 1HB LEU 17 13.270 -14.695 -2.709 117 HB3 LEU 17 2HB LEU 17 12.524 -13.110 -2.666 118 HG LEU 17 HG LEU 17 15.205 -13.790 -3.905 119 HD11 LEU 17 1HD1 LEU 17 12.470 -13.263 -5.064 120 HD12 LEU 17 2HD1 LEU 17 13.961 -13.052 -6.015 121 HD13 LEU 17 3HD1 LEU 17 13.557 -14.647 -5.335 122 HD21 LEU 17 1HD2 LEU 17 15.000 -11.417 -4.820 123 HD22 LEU 17 2HD2 LEU 17 13.784 -11.151 -3.547 124 HD23 LEU 17 3HD2 LEU 17 15.451 -11.593 -3.107 125 HA PRO 18 HA PRO 18 12.021 -12.060 1.933 126 HB2 PRO 18 1HB PRO 18 10.855 -9.647 1.398 127 HB3 PRO 18 2HB PRO 18 12.445 -9.804 2.118 128 HG2 PRO 18 1HG PRO 18 11.729 -9.058 -0.652 129 HG3 PRO 18 2HG PRO 18 13.244 -8.814 0.194 130 HD2 PRO 18 1HD PRO 18 12.687 -10.814 -1.784 131 HD3 PRO 18 2HD PRO 18 14.162 -10.642 -0.855 132 H HIS 19 H HIS 19 9.576 -11.162 2.405 133 HA HIS 19 HA HIS 19 7.991 -12.606 0.409 134 HB2 HIS 19 1HB HIS 19 8.326 -13.138 3.243 135 HB3 HIS 19 2HB HIS 19 6.648 -12.798 2.871 136 HD1 HIS 19 1HD HIS 19 5.339 -14.818 2.231 137 HD2 HIS 19 2HD HIS 19 9.395 -15.196 1.228 138 HE1 HIS 19 1HE HIS 19 5.615 -17.152 1.237 139 H ALA 20 H ALA 20 5.585 -11.953 0.541 140 HA ALA 20 HA ALA 20 5.445 -9.163 0.224 141 HB1 ALA 20 1HB ALA 20 2.915 -10.625 0.679 142 HB2 ALA 20 2HB ALA 20 3.446 -9.666 -0.723 143 HB3 ALA 20 3HB ALA 20 3.973 -11.357 -0.551 144 HA PRO 21 HA PRO 21 4.361 -7.838 4.194 145 HB2 PRO 21 1HB PRO 21 2.610 -5.790 3.735 146 HB3 PRO 21 2HB PRO 21 4.346 -5.622 3.567 147 HG2 PRO 21 1HG PRO 21 2.292 -5.843 1.452 148 HG3 PRO 21 2HG PRO 21 3.940 -5.259 1.326 149 HD2 PRO 21 1HD PRO 21 2.956 -7.815 0.474 150 HD3 PRO 21 2HD PRO 21 4.622 -7.274 0.455 151 H GLU 22 H GLU 22 2.802 -7.673 5.953 152 HA GLU 22 HA GLU 22 0.532 -9.359 5.241 153 HB2 GLU 22 1HB GLU 22 2.434 -9.376 7.496 154 HB3 GLU 22 2HB GLU 22 0.765 -9.434 8.027 155 HG2 GLU 22 1HG GLU 22 0.733 -11.234 5.915 156 HG3 GLU 22 2HG GLU 22 2.350 -11.470 6.549 157 H HIS 23 H HIS 23 -1.264 -9.012 7.202 158 HA HIS 23 HA HIS 23 -2.991 -7.631 7.532 159 HB2 HIS 23 1HB HIS 23 -0.838 -7.201 9.304 160 HB3 HIS 23 2HB HIS 23 -1.494 -5.611 8.969 161 HD1 HIS 23 1HD HIS 23 -4.164 -5.327 9.445 162 HD2 HIS 23 2HD HIS 23 -2.311 -8.717 11.079 163 HE1 HIS 23 1HE HIS 23 -5.743 -6.206 11.246 164 HA PRO 24 HA PRO 24 -1.794 -4.541 4.357 165 HB2 PRO 24 1HB PRO 24 -3.061 -5.602 2.181 166 HB3 PRO 24 2HB PRO 24 -1.358 -5.848 2.512 167 HG2 PRO 24 1HG PRO 24 -3.604 -7.740 2.852 168 HG3 PRO 24 2HG PRO 24 -1.887 -8.079 2.766 169 HD2 PRO 24 1HD PRO 24 -3.513 -8.042 5.128 170 HD3 PRO 24 2HD PRO 24 -1.777 -8.266 5.055 171 H VAL 25 H VAL 25 -3.132 -3.387 5.949 172 HA VAL 25 HA VAL 25 -5.926 -3.337 5.108 173 HB VAL 25 HB VAL 25 -4.657 -1.938 7.459 174 HG11 VAL 25 1HG1 VAL 25 -7.474 -2.674 6.658 175 HG12 VAL 25 2HG1 VAL 25 -7.045 -2.361 8.357 176 HG13 VAL 25 3HG1 VAL 25 -6.817 -1.089 7.132 177 HG21 VAL 25 1HG2 VAL 25 -4.035 -4.169 7.862 178 HG22 VAL 25 2HG2 VAL 25 -5.557 -3.968 8.763 179 HG23 VAL 25 3HG2 VAL 25 -5.556 -4.811 7.196 180 H ALA 26 H ALA 26 -6.895 -1.533 4.190 181 HA ALA 26 HA ALA 26 -5.192 0.827 3.865 182 HB1 ALA 26 1HB ALA 26 -5.611 0.924 1.518 183 HB2 ALA 26 2HB ALA 26 -5.113 -0.752 1.850 184 HB3 ALA 26 3HB ALA 26 -6.834 -0.366 1.607 185 H THR 27 H THR 27 -6.262 2.579 4.623 186 HA THR 27 HA THR 27 -9.157 2.691 4.209 187 HB THR 27 HB THR 27 -8.968 3.700 6.737 188 HG1 THR 27 1HG THR 27 -7.074 1.476 6.468 189 HG21 THR 27 1HG2 THR 27 -8.962 0.677 6.285 190 HG22 THR 27 2HG2 THR 27 -9.772 1.580 7.588 191 HG23 THR 27 3HG2 THR 27 -10.381 1.689 5.919 192 H LEU 28 H LEU 28 -10.016 4.776 3.993 193 HA LEU 28 HA LEU 28 -8.358 6.618 2.790 194 HB2 LEU 28 1HB LEU 28 -11.092 6.307 3.356 195 HB3 LEU 28 2HB LEU 28 -10.651 7.868 4.018 196 HG LEU 28 HG LEU 28 -9.455 7.924 1.526 197 HD11 LEU 28 1HD1 LEU 28 -11.151 7.217 -0.086 198 HD12 LEU 28 2HD1 LEU 28 -10.551 5.840 0.868 199 HD13 LEU 28 3HD1 LEU 28 -12.141 6.550 1.235 200 HD21 LEU 28 1HD2 LEU 28 -10.460 9.880 2.086 201 HD22 LEU 28 2HD2 LEU 28 -11.720 9.243 1.002 202 HD23 LEU 28 3HD2 LEU 28 -11.899 9.082 2.766 203 H SER 29 H SER 29 -7.982 8.945 3.566 204 HA SER 29 HA SER 29 -6.662 8.717 6.094 205 HB2 SER 29 1HB SER 29 -6.028 10.006 3.767 206 HB3 SER 29 2HB SER 29 -6.734 11.338 4.660 207 HG SER 29 HG SER 29 -5.236 10.525 6.486 208 H THR 30 H THR 30 -7.664 9.237 8.001 209 HA THR 30 HA THR 30 -10.132 10.753 7.905 210 HB THR 30 HB THR 30 -10.312 9.989 10.243 211 HG1 THR 30 1HG THR 30 -7.966 10.366 10.636 212 HG21 THR 30 1HG2 THR 30 -9.192 7.472 9.680 213 HG22 THR 30 2HG2 THR 30 -10.870 7.956 9.338 214 HG23 THR 30 3HG2 THR 30 -9.626 8.103 8.073 215 H VAL 31 H VAL 31 -7.836 12.239 7.048 216 HA VAL 31 HA VAL 31 -8.108 14.419 8.890 217 HB VAL 31 HB VAL 31 -5.721 14.692 9.295 218 HG11 VAL 31 1HG1 VAL 31 -5.458 12.988 10.988 219 HG12 VAL 31 2HG1 VAL 31 -7.172 13.465 10.917 220 HG13 VAL 31 3HG1 VAL 31 -6.642 11.936 10.176 221 HG21 VAL 31 1HG2 VAL 31 -5.438 12.006 7.906 222 HG22 VAL 31 2HG2 VAL 31 -4.793 13.571 7.356 223 HG23 VAL 31 3HG2 VAL 31 -4.153 12.815 8.834 224 H GLU 32 H GLU 32 -6.417 12.967 6.046 225 HA GLU 32 HA GLU 32 -6.505 15.605 4.825 226 HB2 GLU 32 1HB GLU 32 -4.541 13.506 4.860 227 HB3 GLU 32 2HB GLU 32 -5.091 13.680 3.205 228 HG2 GLU 32 1HG GLU 32 -4.291 15.859 3.009 229 HG3 GLU 32 2HG GLU 32 -4.537 16.223 4.706 230 H ARG 33 H ARG 33 -7.604 15.965 2.858 231 HA ARG 33 HA ARG 33 -9.588 13.987 2.304 232 HB2 ARG 33 1HB ARG 33 -9.086 16.858 1.509 233 HB3 ARG 33 2HB ARG 33 -10.131 15.902 0.476 234 HG2 ARG 33 1HG ARG 33 -10.527 16.131 3.494 235 HG3 ARG 33 2HG ARG 33 -11.316 17.190 2.342 236 HD2 ARG 33 1HD ARG 33 -12.520 15.343 1.325 237 HD3 ARG 33 2HD ARG 33 -11.543 14.153 2.163 238 HE ARG 33 HE ARG 33 -12.696 15.701 4.198 239 HH11 ARG 33 2HH2 ARG 33 -13.878 13.710 1.548 240 HH12 ARG 33 1HH2 ARG 33 -15.344 13.273 2.360 241 HH21 ARG 33 2HH1 ARG 33 -14.630 15.124 5.271 242 HH22 ARG 33 1HH1 ARG 33 -15.774 14.083 4.492 243 H ARG 34 H ARG 34 -9.929 13.002 0.185 244 HA ARG 34 HA ARG 34 -9.298 11.988 -1.615 245 HB2 ARG 34 1HB ARG 34 -7.626 14.511 -2.063 246 HB3 ARG 34 2HB ARG 34 -7.866 13.282 -3.289 247 HG2 ARG 34 1HG ARG 34 -10.451 13.659 -2.732 248 HG3 ARG 34 2HG ARG 34 -9.887 15.194 -2.102 249 HD2 ARG 34 1HD ARG 34 -9.122 14.232 -4.892 250 HD3 ARG 34 2HD ARG 34 -10.598 15.130 -4.599 251 HE ARG 34 HE ARG 34 -8.464 16.562 -3.367 252 HH11 ARG 34 2HH2 ARG 34 -9.560 15.675 -6.591 253 HH12 ARG 34 1HH2 ARG 34 -8.849 17.059 -7.352 254 HH21 ARG 34 2HH1 ARG 34 -7.526 18.388 -4.370 255 HH22 ARG 34 1HH1 ARG 34 -7.684 18.613 -6.080 256 H ALA 35 H ALA 35 -7.780 11.496 0.854 257 HA ALA 35 HA ALA 35 -5.300 10.526 -0.372 258 HB1 ALA 35 1HB ALA 35 -4.867 11.121 2.404 259 HB2 ALA 35 2HB ALA 35 -4.058 11.818 0.980 260 HB3 ALA 35 3HB ALA 35 -5.540 12.569 1.618 261 H ILE 36 H ILE 36 -4.686 8.443 0.279 262 HA ILE 36 HA ILE 36 -6.633 7.128 2.043 263 HB ILE 36 HB ILE 36 -5.139 6.112 -0.370 264 HG12 ILE 36 1HG1 ILE 36 -8.103 6.316 0.239 265 HG13 ILE 36 2HG1 ILE 36 -7.201 7.406 -0.796 266 HG21 ILE 36 1HG2 ILE 36 -6.014 4.655 1.979 267 HG22 ILE 36 2HG2 ILE 36 -6.857 4.097 0.515 268 HG23 ILE 36 3HG2 ILE 36 -5.078 4.100 0.570 269 HD11 ILE 36 1HD1 ILE 36 -7.838 4.475 -1.245 270 HD12 ILE 36 2HD1 ILE 36 -8.139 5.860 -2.322 271 HD13 ILE 36 3HD1 ILE 36 -6.482 5.250 -2.099 272 H ASN 37 H ASN 37 -5.866 5.796 3.707 273 HA ASN 37 HA ASN 37 -3.050 6.221 4.251 274 HB2 ASN 37 1HB ASN 37 -5.418 6.310 5.858 275 HB3 ASN 37 2HB ASN 37 -4.533 4.898 6.401 276 HD21 ASN 37 1HD2 ASN 37 -4.907 8.174 6.709 277 HD22 ASN 37 2HD2 ASN 37 -3.418 8.602 7.484 278 H LEU 38 H LEU 38 -1.719 4.480 3.728 279 HA LEU 38 HA LEU 38 -2.953 1.832 3.624 280 HB2 LEU 38 1HB LEU 38 -1.447 3.156 1.788 281 HB3 LEU 38 2HB LEU 38 -0.211 2.232 2.617 282 HG LEU 38 HG LEU 38 -1.504 1.293 0.502 283 HD11 LEU 38 1HD1 LEU 38 -0.769 -0.876 1.068 284 HD12 LEU 38 2HD1 LEU 38 0.341 0.243 1.894 285 HD13 LEU 38 3HD1 LEU 38 -0.948 -0.571 2.813 286 HD21 LEU 38 1HD2 LEU 38 -3.205 0.087 2.677 287 HD22 LEU 38 2HD2 LEU 38 -3.712 1.545 1.792 288 HD23 LEU 38 3HD2 LEU 38 -3.423 0.025 0.912 289 H THR 39 H THR 39 -2.321 0.174 4.967 290 HA THR 39 HA THR 39 0.035 0.606 6.637 291 HB THR 39 HB THR 39 -1.286 0.163 8.684 292 HG1 THR 39 1HG THR 39 -3.232 -0.806 8.282 293 HG21 THR 39 1HG2 THR 39 -2.502 2.206 8.859 294 HG22 THR 39 2HG2 THR 39 -1.288 2.575 7.611 295 HG23 THR 39 3HG2 THR 39 -2.958 2.182 7.139 296 H TRP 40 H TRP 40 1.275 -1.159 6.691 297 HA TRP 40 HA TRP 40 -0.059 -3.746 6.406 298 HB2 TRP 40 1HB TRP 40 1.507 -4.502 4.753 299 HB3 TRP 40 2HB TRP 40 0.648 -3.094 4.162 300 HD1 TRP 40 HD TRP 40 4.173 -4.269 5.019 301 HE1 TRP 40 1HE TRP 40 5.996 -2.490 4.331 302 HE3 TRP 40 3HE TRP 40 0.887 -0.536 3.956 303 HZ2 TRP 40 2HZ TRP 40 5.863 0.218 3.439 304 HZ3 TRP 40 3HZ TRP 40 1.817 1.644 3.183 305 HH2 TRP 40 HH TRP 40 4.212 2.052 2.919 306 H THR 41 H THR 41 1.682 -5.535 6.926 307 HA THR 41 HA THR 41 3.182 -4.559 9.251 308 HB THR 41 HB THR 41 2.024 -7.264 8.420 309 HG1 THR 41 1HG THR 41 0.641 -5.619 9.426 310 HG21 THR 41 1HG2 THR 41 3.940 -6.501 10.661 311 HG22 THR 41 2HG2 THR 41 2.747 -7.801 10.892 312 HG23 THR 41 3HG2 THR 41 3.980 -7.941 9.615 313 H LYS 42 H LYS 42 5.330 -5.411 9.688 314 HA LYS 42 HA LYS 42 6.865 -5.415 7.261 315 HB2 LYS 42 1HB LYS 42 7.371 -4.253 9.545 316 HB3 LYS 42 2HB LYS 42 7.987 -5.821 10.024 317 HG2 LYS 42 1HG LYS 42 8.941 -5.061 7.346 318 HG3 LYS 42 2HG LYS 42 9.367 -3.856 8.545 319 HD2 LYS 42 1HD LYS 42 10.335 -5.677 9.995 320 HD3 LYS 42 2HD LYS 42 9.959 -6.847 8.746 321 HE2 LYS 42 1HE LYS 42 11.896 -6.354 7.677 322 HE3 LYS 42 2HE LYS 42 11.375 -4.693 7.474 323 HZ1 LYS 42 1HZ LYS 42 13.398 -5.554 9.055 324 HZ2 LYS 42 2HZ LYS 42 12.735 -4.062 9.074 325 HZ3 LYS 42 3HZ LYS 42 12.214 -5.200 10.123 326 HA PRO 43 HA PRO 43 6.732 -9.791 7.123 327 HB2 PRO 43 1HB PRO 43 7.762 -10.064 4.606 328 HB3 PRO 43 2HB PRO 43 6.056 -9.817 4.922 329 HG2 PRO 43 1HG PRO 43 8.048 -7.890 3.893 330 HG3 PRO 43 2HG PRO 43 6.300 -7.807 3.816 331 HD2 PRO 43 1HD PRO 43 8.010 -6.348 5.597 332 HD3 PRO 43 2HD PRO 43 6.258 -6.354 5.597 333 H PHE 44 H PHE 44 8.339 -11.625 6.471 334 HA PHE 44 HA PHE 44 10.691 -10.974 7.986 335 HB2 PHE 44 1HB PHE 44 9.513 -13.140 8.256 336 HB3 PHE 44 2HB PHE 44 9.565 -13.434 6.529 337 HD1 PHE 44 1HD PHE 44 11.996 -13.548 5.499 338 HD2 PHE 44 2HD PHE 44 11.094 -14.157 9.600 339 HE1 PHE 44 1HE PHE 44 14.140 -14.823 5.781 340 HE2 PHE 44 2HE PHE 44 13.238 -15.432 9.882 341 HZ PHE 44 HZ PHE 44 14.735 -15.750 7.970 342 H ASP 45 H ASP 45 12.653 -10.388 7.178 343 HA ASP 45 HA ASP 45 12.895 -10.163 4.359 344 HB2 ASP 45 1HB ASP 45 14.833 -8.893 4.810 345 HB3 ASP 45 2HB ASP 45 13.829 -8.588 6.214 346 H GLY 46 H GLY 46 14.381 -11.372 3.014 347 HA2 GLY 46 1HA GLY 46 14.984 -14.022 3.927 348 HA3 GLY 46 2HA GLY 46 15.322 -13.325 2.355 349 H ASN 47 H ASN 47 16.337 -12.535 5.763 350 HA ASN 47 HA ASN 47 18.284 -12.245 6.668 351 HB2 ASN 47 1HB ASN 47 19.402 -13.889 4.335 352 HB3 ASN 47 2HB ASN 47 20.263 -13.541 5.821 353 HD21 ASN 47 1HD2 ASN 47 19.272 -16.047 4.502 354 HD22 ASN 47 2HD2 ASN 47 18.389 -16.908 5.719 355 H SER 48 H SER 48 17.281 -10.296 4.725 356 HA SER 48 HA SER 48 19.794 -9.041 4.102 357 HB2 SER 48 1HB SER 48 19.551 -9.918 1.957 358 HB3 SER 48 2HB SER 48 17.802 -9.962 2.050 359 HG SER 48 HG SER 48 19.524 -7.842 1.294 360 HA PRO 49 HA PRO 49 17.391 -5.651 5.417 361 HB2 PRO 49 1HB PRO 49 19.040 -3.584 4.726 362 HB3 PRO 49 2HB PRO 49 19.255 -4.536 6.181 363 HG2 PRO 49 1HG PRO 49 20.804 -4.621 3.665 364 HG3 PRO 49 2HG PRO 49 21.245 -5.232 5.247 365 HD2 PRO 49 1HD PRO 49 20.345 -6.773 3.002 366 HD3 PRO 49 2HD PRO 49 20.674 -7.368 4.616 367 H LEU 50 H LEU 50 15.478 -5.142 4.575 368 HA LEU 50 HA LEU 50 14.930 -5.095 1.935 369 HB2 LEU 50 1HB LEU 50 13.696 -3.324 4.049 370 HB3 LEU 50 2HB LEU 50 12.983 -3.730 2.500 371 HG LEU 50 HG LEU 50 13.738 -5.995 4.291 372 HD11 LEU 50 1HD1 LEU 50 12.046 -3.839 5.183 373 HD12 LEU 50 2HD1 LEU 50 11.099 -5.337 5.012 374 HD13 LEU 50 3HD1 LEU 50 12.554 -5.315 6.039 375 HD21 LEU 50 1HD2 LEU 50 11.109 -5.792 2.918 376 HD22 LEU 50 2HD2 LEU 50 12.556 -5.914 1.889 377 HD23 LEU 50 3HD2 LEU 50 12.215 -7.175 3.098 378 H ILE 51 H ILE 51 14.699 -3.454 0.294 379 HA ILE 51 HA ILE 51 16.590 -1.251 0.723 380 HB ILE 51 HB ILE 51 15.942 -3.001 -1.598 381 HG12 ILE 51 1HG1 ILE 51 18.492 -1.806 -0.475 382 HG13 ILE 51 2HG1 ILE 51 17.927 -3.451 -0.261 383 HG21 ILE 51 1HG2 ILE 51 15.525 -1.171 -2.863 384 HG22 ILE 51 2HG2 ILE 51 16.379 -0.067 -1.757 385 HG23 ILE 51 3HG2 ILE 51 17.303 -1.083 -2.890 386 HD11 ILE 51 1HD1 ILE 51 17.888 -3.509 -2.907 387 HD12 ILE 51 2HD1 ILE 51 18.993 -2.121 -2.759 388 HD13 ILE 51 3HD1 ILE 51 19.434 -3.691 -2.044 389 H ARG 52 H ARG 52 13.432 -2.165 -0.797 390 HA ARG 52 HA ARG 52 12.348 0.294 0.062 391 HB2 ARG 52 1HB ARG 52 11.908 1.337 -2.060 392 HB3 ARG 52 2HB ARG 52 13.603 0.893 -2.108 393 HG2 ARG 52 1HG ARG 52 13.034 -1.187 -3.365 394 HG3 ARG 52 2HG ARG 52 11.333 -0.773 -3.297 395 HD2 ARG 52 1HD ARG 52 11.898 0.071 -5.408 396 HD3 ARG 52 2HD ARG 52 12.114 1.503 -4.422 397 HE ARG 52 HE ARG 52 14.542 -0.118 -4.602 398 HH11 ARG 52 2HH2 ARG 52 12.646 2.390 -6.183 399 HH12 ARG 52 1HH2 ARG 52 13.996 3.044 -7.049 400 HH21 ARG 52 2HH1 ARG 52 16.324 0.745 -5.744 401 HH22 ARG 52 1HH1 ARG 52 16.102 2.102 -6.797 402 H TYR 53 H TYR 53 10.015 0.460 -1.392 403 HA TYR 53 HA TYR 53 8.975 -2.270 -1.590 404 HB2 TYR 53 1HB TYR 53 8.318 0.012 0.281 405 HB3 TYR 53 2HB TYR 53 6.924 -0.793 -0.413 406 HD1 TYR 53 1HD TYR 53 9.889 -1.241 1.751 407 HD2 TYR 53 2HD TYR 53 6.294 -3.023 0.266 408 HE1 TYR 53 1HE TYR 53 10.062 -3.070 3.508 409 HE2 TYR 53 2HE TYR 53 6.480 -4.847 2.028 410 HH TYR 53 HH TYR 53 8.287 -4.605 4.687 411 H ILE 54 H ILE 54 7.749 -2.548 -3.395 412 HA ILE 54 HA ILE 54 7.057 -0.130 -4.874 413 HB ILE 54 HB ILE 54 7.164 -3.029 -5.714 414 HG12 ILE 54 1HG1 ILE 54 9.071 -0.733 -6.253 415 HG13 ILE 54 2HG1 ILE 54 9.373 -2.096 -5.194 416 HG21 ILE 54 1HG2 ILE 54 5.954 -0.701 -6.954 417 HG22 ILE 54 2HG2 ILE 54 7.238 -1.395 -7.973 418 HG23 ILE 54 3HG2 ILE 54 5.887 -2.416 -7.426 419 HD11 ILE 54 1HD1 ILE 54 10.198 -3.210 -6.985 420 HD12 ILE 54 2HD1 ILE 54 8.545 -3.256 -7.644 421 HD13 ILE 54 3HD1 ILE 54 9.645 -1.930 -8.091 422 H LEU 55 H LEU 55 5.130 0.699 -4.204 423 HA LEU 55 HA LEU 55 3.012 -1.172 -3.516 424 HB2 LEU 55 1HB LEU 55 3.291 0.499 -1.909 425 HB3 LEU 55 2HB LEU 55 3.471 1.766 -3.107 426 HG LEU 55 HG LEU 55 0.960 1.041 -3.694 427 HD11 LEU 55 1HD1 LEU 55 0.780 -0.754 -2.102 428 HD12 LEU 55 2HD1 LEU 55 1.281 0.317 -0.771 429 HD13 LEU 55 3HD1 LEU 55 -0.278 0.583 -1.588 430 HD21 LEU 55 1HD2 LEU 55 0.523 3.122 -3.036 431 HD22 LEU 55 2HD2 LEU 55 0.906 2.752 -1.337 432 HD23 LEU 55 3HD2 LEU 55 2.208 3.194 -2.467 433 H GLU 56 H GLU 56 1.387 -1.704 -4.884 434 HA GLU 56 HA GLU 56 1.160 -0.031 -7.265 435 HB2 GLU 56 1HB GLU 56 1.180 -3.006 -6.889 436 HB3 GLU 56 2HB GLU 56 0.081 -2.377 -8.101 437 HG2 GLU 56 1HG GLU 56 2.285 -2.899 -9.104 438 HG3 GLU 56 2HG GLU 56 1.942 -1.185 -9.221 439 H MET 57 H MET 57 -0.885 0.731 -7.837 440 HA MET 57 HA MET 57 -3.003 -0.049 -5.987 441 HB2 MET 57 1HB MET 57 -2.484 2.313 -5.741 442 HB3 MET 57 2HB MET 57 -2.364 2.545 -7.474 443 HG2 MET 57 1HG MET 57 -4.991 1.611 -6.279 444 HG3 MET 57 2HG MET 57 -4.557 3.306 -6.183 445 HE1 MET 57 1HE MET 57 -3.680 4.584 -7.892 446 HE2 MET 57 2HE MET 57 -3.720 4.295 -9.648 447 HE3 MET 57 3HE MET 57 -5.152 4.954 -8.822 448 H SER 58 H SER 58 -5.095 -0.543 -6.808 449 HA SER 58 HA SER 58 -5.194 -0.711 -9.718 450 HB2 SER 58 1HB SER 58 -4.959 -2.971 -9.070 451 HB3 SER 58 2HB SER 58 -5.921 -2.764 -7.620 452 HG SER 58 HG SER 58 -7.312 -2.218 -10.002 453 H GLU 59 H GLU 59 -6.536 1.048 -10.157 454 HA GLU 59 HA GLU 59 -8.787 1.501 -8.437 455 HB2 GLU 59 1HB GLU 59 -7.262 3.306 -9.517 456 HB3 GLU 59 2HB GLU 59 -8.139 2.995 -11.003 457 HG2 GLU 59 1HG GLU 59 -10.248 3.275 -9.279 458 HG3 GLU 59 2HG GLU 59 -9.079 4.307 -8.479 459 H ASN 60 H ASN 60 -10.886 0.881 -8.846 460 HA ASN 60 HA ASN 60 -12.548 -0.157 -9.777 461 HB2 ASN 60 1HB ASN 60 -11.401 1.437 -12.066 462 HB3 ASN 60 2HB ASN 60 -12.607 0.234 -12.478 463 HD21 ASN 60 1HD2 ASN 60 -11.972 2.793 -10.087 464 HD22 ASN 60 2HD2 ASN 60 -13.582 3.426 -10.006 465 H ASN 61 H ASN 61 -10.823 -0.433 -12.894 466 HA ASN 61 HA ASN 61 -10.262 -3.222 -12.268 467 HB2 ASN 61 1HB ASN 61 -11.906 -2.044 -14.460 468 HB3 ASN 61 2HB ASN 61 -10.727 -3.214 -15.019 469 HD21 ASN 61 1HD2 ASN 61 -13.203 -3.903 -15.427 470 HD22 ASN 61 2HD2 ASN 61 -13.780 -5.113 -14.329 471 H ALA 62 H ALA 62 -8.676 -0.583 -12.363 472 HA ALA 62 HA ALA 62 -7.100 -0.677 -14.732 473 HB1 ALA 62 1HB ALA 62 -7.641 1.205 -12.843 474 HB2 ALA 62 2HB ALA 62 -6.051 0.639 -12.277 475 HB3 ALA 62 3HB ALA 62 -6.233 1.276 -13.929 476 HA PRO 63 HA PRO 63 -4.218 -3.650 -13.480 477 HB2 PRO 63 1HB PRO 63 -2.061 -2.984 -15.019 478 HB3 PRO 63 2HB PRO 63 -3.428 -3.896 -15.628 479 HG2 PRO 63 1HG PRO 63 -2.731 -1.062 -16.100 480 HG3 PRO 63 2HG PRO 63 -3.819 -2.091 -17.010 481 HD2 PRO 63 1HD PRO 63 -4.555 -0.050 -15.134 482 HD3 PRO 63 2HD PRO 63 -5.637 -1.157 -15.958 483 H TRP 64 H TRP 64 -2.569 -4.170 -12.045 484 HA TRP 64 HA TRP 64 -2.112 -2.441 -10.036 485 HB2 TRP 64 1HB TRP 64 -0.167 -4.496 -11.105 486 HB3 TRP 64 2HB TRP 64 -0.103 -3.763 -9.514 487 HD1 TRP 64 HD TRP 64 -1.324 -6.829 -11.066 488 HE1 TRP 64 1HE TRP 64 -3.125 -8.130 -9.641 489 HE3 TRP 64 3HE TRP 64 -2.381 -2.978 -7.918 490 HZ2 TRP 64 2HZ TRP 64 -4.752 -7.418 -7.407 491 HZ3 TRP 64 3HZ TRP 64 -4.088 -3.364 -6.143 492 HH2 TRP 64 HH TRP 64 -5.257 -5.492 -5.860 493 H THR 65 H THR 65 -1.497 -0.318 -10.233 494 HA THR 65 HA THR 65 0.685 0.272 -12.116 495 HB THR 65 HB THR 65 -1.515 1.404 -12.517 496 HG1 THR 65 1HG THR 65 0.667 2.453 -12.785 497 HG21 THR 65 1HG2 THR 65 -1.376 3.349 -10.396 498 HG22 THR 65 2HG2 THR 65 -2.723 2.248 -10.773 499 HG23 THR 65 3HG2 THR 65 -1.447 1.740 -9.640 500 H VAL 66 H VAL 66 2.633 0.909 -11.408 501 HA VAL 66 HA VAL 66 3.183 0.766 -8.648 502 HB VAL 66 HB VAL 66 4.880 1.971 -10.837 503 HG11 VAL 66 1HG1 VAL 66 5.967 2.383 -8.813 504 HG12 VAL 66 2HG1 VAL 66 5.429 0.846 -8.093 505 HG13 VAL 66 3HG1 VAL 66 6.691 0.847 -9.349 506 HG21 VAL 66 1HG2 VAL 66 5.118 -0.020 -11.815 507 HG22 VAL 66 2HG2 VAL 66 5.492 -0.797 -10.258 508 HG23 VAL 66 3HG2 VAL 66 3.801 -0.631 -10.787 509 H LEU 67 H LEU 67 2.097 2.229 -7.356 510 HA LEU 67 HA LEU 67 1.819 4.951 -8.169 511 HB2 LEU 67 1HB LEU 67 1.001 3.254 -5.876 512 HB3 LEU 67 2HB LEU 67 1.142 4.974 -5.573 513 HG LEU 67 HG LEU 67 -0.669 3.587 -7.557 514 HD11 LEU 67 1HD1 LEU 67 -2.460 4.358 -6.256 515 HD12 LEU 67 2HD1 LEU 67 -1.262 3.776 -5.075 516 HD13 LEU 67 3HD1 LEU 67 -1.440 5.522 -5.375 517 HD21 LEU 67 1HD2 LEU 67 -0.128 5.396 -8.853 518 HD22 LEU 67 2HD2 LEU 67 -1.462 6.077 -7.891 519 HD23 LEU 67 3HD2 LEU 67 0.226 6.440 -7.455 520 H LEU 68 H LEU 68 3.642 3.268 -5.511 521 HA LEU 68 HA LEU 68 5.533 5.513 -5.637 522 HB2 LEU 68 1HB LEU 68 3.882 4.838 -3.511 523 HB3 LEU 68 2HB LEU 68 5.419 4.112 -3.085 524 HG LEU 68 HG LEU 68 4.897 7.031 -3.701 525 HD11 LEU 68 1HD1 LEU 68 6.142 6.455 -1.156 526 HD12 LEU 68 2HD1 LEU 68 4.638 7.336 -1.517 527 HD13 LEU 68 3HD1 LEU 68 4.609 5.566 -1.329 528 HD21 LEU 68 1HD2 LEU 68 7.176 7.512 -3.493 529 HD22 LEU 68 2HD2 LEU 68 7.552 5.909 -2.818 530 HD23 LEU 68 3HD2 LEU 68 7.126 6.073 -4.539 531 H ALA 69 H ALA 69 7.340 4.805 -6.635 532 HA ALA 69 HA ALA 69 7.990 2.007 -6.589 533 HB1 ALA 69 1HB ALA 69 8.360 4.091 -8.359 534 HB2 ALA 69 2HB ALA 69 9.978 3.923 -7.639 535 HB3 ALA 69 3HB ALA 69 9.207 2.527 -8.429 536 H SER 70 H SER 70 9.705 5.060 -5.590 537 HA SER 70 HA SER 70 11.468 3.475 -3.989 538 HB2 SER 70 1HB SER 70 12.838 5.327 -3.962 539 HB3 SER 70 2HB SER 70 11.891 5.734 -5.379 540 HG SER 70 HG SER 70 12.000 7.532 -3.922 541 H VAL 71 H VAL 71 10.491 2.659 -2.137 542 HA VAL 71 HA VAL 71 9.180 4.650 -0.420 543 HB VAL 71 HB VAL 71 8.404 1.787 -0.988 544 HG11 VAL 71 1HG1 VAL 71 7.856 1.712 1.204 545 HG12 VAL 71 2HG1 VAL 71 7.905 3.482 1.386 546 HG13 VAL 71 3HG1 VAL 71 6.464 2.698 0.694 547 HG21 VAL 71 1HG2 VAL 71 7.019 4.452 -1.402 548 HG22 VAL 71 2HG2 VAL 71 7.512 3.269 -2.637 549 HG23 VAL 71 3HG2 VAL 71 6.188 2.882 -1.512 550 H ASP 72 H ASP 72 9.553 4.409 1.857 551 HA ASP 72 HA ASP 72 12.128 3.496 2.416 552 HB2 ASP 72 1HB ASP 72 9.910 4.831 3.814 553 HB3 ASP 72 2HB ASP 72 10.743 3.710 4.873 554 HA PRO 73 HA PRO 73 11.067 -0.648 3.435 555 HB2 PRO 73 1HB PRO 73 13.397 -1.440 4.624 556 HB3 PRO 73 2HB PRO 73 13.172 -1.403 2.886 557 HG2 PRO 73 1HG PRO 73 14.699 0.461 4.598 558 HG3 PRO 73 2HG PRO 73 14.805 0.227 2.865 559 HD2 PRO 73 1HD PRO 73 13.506 2.391 4.228 560 HD3 PRO 73 2HD PRO 73 13.513 2.093 2.501 561 H LYS 74 H LYS 74 12.338 1.451 5.910 562 HA LYS 74 HA LYS 74 11.370 -0.231 8.007 563 HB2 LYS 74 1HB LYS 74 12.678 2.468 7.826 564 HB3 LYS 74 2HB LYS 74 11.896 1.988 9.319 565 HG2 LYS 74 1HG LYS 74 13.641 -0.107 8.114 566 HG3 LYS 74 2HG LYS 74 14.491 1.336 8.627 567 HD2 LYS 74 1HD LYS 74 14.496 -0.019 10.571 568 HD3 LYS 74 2HD LYS 74 13.187 1.109 10.868 569 HE2 LYS 74 1HE LYS 74 11.516 -0.551 10.160 570 HE3 LYS 74 2HE LYS 74 12.772 -1.662 9.650 571 HZ1 LYS 74 1HZ LYS 74 11.860 -2.114 11.867 572 HZ2 LYS 74 2HZ LYS 74 13.477 -1.891 11.884 573 HZ3 LYS 74 3HZ LYS 74 12.484 -0.707 12.412 574 H ALA 75 H ALA 75 9.837 1.668 5.700 575 HA ALA 75 HA ALA 75 7.800 2.681 7.504 576 HB1 ALA 75 1HB ALA 75 7.001 3.150 4.876 577 HB2 ALA 75 2HB ALA 75 7.894 4.284 5.918 578 HB3 ALA 75 3HB ALA 75 8.777 3.226 4.791 579 H THR 76 H THR 76 5.841 1.712 7.856 580 HA THR 76 HA THR 76 5.299 -0.703 6.257 581 HB THR 76 HB THR 76 3.951 -1.227 8.487 582 HG1 THR 76 1HG THR 76 4.755 0.047 10.220 583 HG21 THR 76 1HG2 THR 76 6.846 -1.186 9.186 584 HG22 THR 76 2HG2 THR 76 5.718 -2.562 9.128 585 HG23 THR 76 3HG2 THR 76 6.486 -1.977 7.632 586 H SER 77 H SER 77 4.455 2.494 6.550 587 HA SER 77 HA SER 77 1.820 1.851 5.528 588 HB2 SER 77 1HB SER 77 1.090 4.052 6.812 589 HB3 SER 77 2HB SER 77 1.089 2.505 7.635 590 HG SER 77 HG SER 77 2.924 3.034 8.760 591 H VAL 78 H VAL 78 0.898 3.677 4.198 592 HA VAL 78 HA VAL 78 2.740 5.786 3.504 593 HB VAL 78 HB VAL 78 3.383 3.711 2.184 594 HG11 VAL 78 1HG1 VAL 78 1.497 4.031 0.069 595 HG12 VAL 78 2HG1 VAL 78 1.821 2.588 1.060 596 HG13 VAL 78 3HG1 VAL 78 0.588 3.764 1.576 597 HG21 VAL 78 1HG2 VAL 78 2.648 5.694 0.129 598 HG22 VAL 78 2HG2 VAL 78 3.459 6.379 1.558 599 HG23 VAL 78 3HG2 VAL 78 4.247 5.086 0.623 600 H THR 79 H THR 79 1.686 7.450 2.172 601 HA THR 79 HA THR 79 -1.250 7.203 2.272 602 HB THR 79 HB THR 79 0.519 9.658 2.761 603 HG1 THR 79 1HG THR 79 -0.121 9.194 4.950 604 HG21 THR 79 1HG2 THR 79 -1.459 10.759 2.320 605 HG22 THR 79 2HG2 THR 79 -2.407 9.253 2.372 606 HG23 THR 79 3HG2 THR 79 -1.984 10.092 3.884 607 H VAL 80 H VAL 80 -2.328 7.433 0.408 608 HA VAL 80 HA VAL 80 -0.732 8.278 -1.893 609 HB VAL 80 HB VAL 80 -3.347 6.767 -1.713 610 HG11 VAL 80 1HG1 VAL 80 -1.571 7.359 -4.105 611 HG12 VAL 80 2HG1 VAL 80 -3.004 6.304 -4.111 612 HG13 VAL 80 3HG1 VAL 80 -3.182 8.046 -3.790 613 HG21 VAL 80 1HG2 VAL 80 -0.639 5.902 -1.346 614 HG22 VAL 80 2HG2 VAL 80 -2.134 4.936 -1.337 615 HG23 VAL 80 3HG2 VAL 80 -1.260 5.209 -2.864 616 H LYS 81 H LYS 81 -0.850 10.462 -2.166 617 HA LYS 81 HA LYS 81 -3.415 11.747 -1.639 618 HB2 LYS 81 1HB LYS 81 -0.632 12.868 -2.072 619 HB3 LYS 81 2HB LYS 81 -2.066 13.848 -1.849 620 HG2 LYS 81 1HG LYS 81 -2.327 13.221 0.397 621 HG3 LYS 81 2HG LYS 81 -1.520 11.681 0.176 622 HD2 LYS 81 1HD LYS 81 0.346 13.828 -0.431 623 HD3 LYS 81 2HD LYS 81 -0.387 14.130 1.132 624 HE2 LYS 81 1HE LYS 81 0.257 11.308 0.946 625 HE3 LYS 81 2HE LYS 81 1.672 12.234 0.485 626 HZ1 LYS 81 1HZ LYS 81 1.935 12.376 2.676 627 HZ2 LYS 81 2HZ LYS 81 0.829 13.576 2.612 628 HZ3 LYS 81 3HZ LYS 81 0.371 12.065 3.029 629 H GLY 82 H GLY 82 -4.639 12.751 -3.229 630 HA2 GLY 82 1HA GLY 82 -5.029 13.616 -5.344 631 HA3 GLY 82 2HA GLY 82 -3.560 12.872 -5.943 632 H LEU 83 H LEU 83 -6.869 12.088 -4.700 633 HA LEU 83 HA LEU 83 -6.902 9.870 -6.617 634 HB2 LEU 83 1HB LEU 83 -7.810 9.821 -3.739 635 HB3 LEU 83 2HB LEU 83 -8.269 8.615 -4.924 636 HG LEU 83 HG LEU 83 -5.459 9.219 -3.966 637 HD11 LEU 83 1HD1 LEU 83 -6.472 6.500 -3.640 638 HD12 LEU 83 2HD1 LEU 83 -5.681 7.583 -2.469 639 HD13 LEU 83 3HD1 LEU 83 -7.433 7.709 -2.754 640 HD21 LEU 83 1HD2 LEU 83 -6.455 7.371 -6.136 641 HD22 LEU 83 2HD2 LEU 83 -5.197 8.627 -6.228 642 HD23 LEU 83 3HD2 LEU 83 -4.896 7.131 -5.312 643 H VAL 84 H VAL 84 -9.206 9.205 -7.162 644 HA VAL 84 HA VAL 84 -10.745 11.653 -7.483 645 HB VAL 84 HB VAL 84 -10.854 8.913 -8.747 646 HG11 VAL 84 1HG1 VAL 84 -13.137 9.983 -8.409 647 HG12 VAL 84 2HG1 VAL 84 -12.595 11.272 -9.510 648 HG13 VAL 84 3HG1 VAL 84 -12.695 9.591 -10.088 649 HG21 VAL 84 1HG2 VAL 84 -9.169 9.914 -9.897 650 HG22 VAL 84 2HG2 VAL 84 -10.525 10.648 -10.786 651 HG23 VAL 84 3HG2 VAL 84 -9.715 11.558 -9.488 652 HA PRO 85 HA PRO 85 -13.535 10.426 -4.405 653 HB2 PRO 85 1HB PRO 85 -15.553 12.202 -4.897 654 HB3 PRO 85 2HB PRO 85 -14.120 12.612 -3.976 655 HG2 PRO 85 1HG PRO 85 -14.820 13.365 -6.747 656 HG3 PRO 85 2HG PRO 85 -13.635 14.090 -5.679 657 HD2 PRO 85 1HD PRO 85 -13.110 12.321 -7.875 658 HD3 PRO 85 2HD PRO 85 -11.939 12.953 -6.735 659 H ALA 86 H ALA 86 -15.448 9.255 -3.937 660 HA ALA 86 HA ALA 86 -16.932 7.694 -4.448 661 HB1 ALA 86 1HB ALA 86 -17.411 9.737 -6.632 662 HB2 ALA 86 2HB ALA 86 -18.391 8.255 -6.521 663 HB3 ALA 86 3HB ALA 86 -18.376 9.415 -5.171 664 H ARG 87 H ARG 87 -14.478 6.772 -4.947 665 HA ARG 87 HA ARG 87 -14.959 5.106 -7.211 666 HB2 ARG 87 1HB ARG 87 -12.745 7.163 -7.139 667 HB3 ARG 87 2HB ARG 87 -12.392 5.610 -7.871 668 HG2 ARG 87 1HG ARG 87 -14.696 6.024 -9.152 669 HG3 ARG 87 2HG ARG 87 -14.401 7.701 -8.738 670 HD2 ARG 87 1HD ARG 87 -12.096 7.500 -9.788 671 HD3 ARG 87 2HD ARG 87 -12.509 5.874 -10.297 672 HE ARG 87 HE ARG 87 -13.535 8.381 -11.437 673 HH11 ARG 87 2HH2 ARG 87 -14.033 4.912 -11.127 674 HH12 ARG 87 1HH2 ARG 87 -15.011 4.796 -12.552 675 HH21 ARG 87 2HH1 ARG 87 -14.825 8.229 -13.317 676 HH22 ARG 87 1HH1 ARG 87 -15.465 6.695 -13.806 677 H SER 88 H SER 88 -13.797 3.087 -7.040 678 HA SER 88 HA SER 88 -12.874 2.583 -4.397 679 HB2 SER 88 1HB SER 88 -13.164 0.838 -6.876 680 HB3 SER 88 2HB SER 88 -12.548 0.220 -5.357 681 HG SER 88 HG SER 88 -14.587 0.984 -4.356 682 H TYR 89 H TYR 89 -10.734 1.746 -3.834 683 HA TYR 89 HA TYR 89 -8.690 2.004 -5.895 684 HB2 TYR 89 1HB TYR 89 -9.098 3.599 -3.319 685 HB3 TYR 89 2HB TYR 89 -7.458 3.290 -3.854 686 HD1 TYR 89 1HD TYR 89 -7.101 3.831 -6.498 687 HD2 TYR 89 2HD TYR 89 -10.040 5.617 -3.953 688 HE1 TYR 89 1HE TYR 89 -7.236 5.839 -8.051 689 HE2 TYR 89 2HE TYR 89 -10.164 7.620 -5.515 690 HH TYR 89 HH TYR 89 -8.411 7.632 -8.572 691 H GLN 90 H GLN 90 -7.219 0.374 -5.736 692 HA GLN 90 HA GLN 90 -7.274 -1.114 -3.232 693 HB2 GLN 90 1HB GLN 90 -6.924 -1.908 -6.112 694 HB3 GLN 90 2HB GLN 90 -6.088 -2.862 -4.903 695 HG2 GLN 90 1HG GLN 90 -8.369 -2.984 -3.657 696 HG3 GLN 90 2HG GLN 90 -9.084 -2.363 -5.132 697 HE21 GLN 90 1HE2 GLN 90 -9.626 -4.866 -3.960 698 HE22 GLN 90 2HE2 GLN 90 -9.140 -6.125 -5.046 699 H PHE 91 H PHE 91 -5.090 -2.265 -2.726 700 HA PHE 91 HA PHE 91 -2.781 -0.854 -3.726 701 HB2 PHE 91 1HB PHE 91 -3.827 -0.791 -0.836 702 HB3 PHE 91 2HB PHE 91 -2.163 -0.399 -1.223 703 HD1 PHE 91 1HD PHE 91 -1.912 1.443 -3.140 704 HD2 PHE 91 2HD PHE 91 -5.330 0.949 -0.674 705 HE1 PHE 91 1HE PHE 91 -2.576 3.823 -3.582 706 HE2 PHE 91 2HE PHE 91 -5.993 3.328 -1.116 707 HZ PHE 91 HZ PHE 91 -4.608 4.737 -2.565 708 H ARG 92 H ARG 92 -0.861 -2.052 -3.482 709 HA ARG 92 HA ARG 92 -0.763 -4.212 -1.681 710 HB2 ARG 92 1HB ARG 92 -0.389 -5.948 -3.584 711 HB3 ARG 92 2HB ARG 92 -2.044 -5.488 -3.238 712 HG2 ARG 92 1HG ARG 92 -2.234 -4.158 -5.180 713 HG3 ARG 92 2HG ARG 92 -0.504 -3.910 -5.307 714 HD2 ARG 92 1HD ARG 92 -0.805 -6.711 -5.516 715 HD3 ARG 92 2HD ARG 92 -2.157 -6.071 -6.428 716 HE ARG 92 HE ARG 92 -0.095 -4.521 -7.350 717 HH11 ARG 92 2HH2 ARG 92 -0.422 -8.002 -6.949 718 HH12 ARG 92 1HH2 ARG 92 0.649 -8.382 -8.256 719 HH21 ARG 92 2HH1 ARG 92 1.318 -5.022 -9.075 720 HH22 ARG 92 1HH1 ARG 92 1.645 -6.675 -9.473 721 H LEU 93 H LEU 93 1.334 -3.866 -1.001 722 HA LEU 93 HA LEU 93 3.312 -3.244 -3.079 723 HB2 LEU 93 1HB LEU 93 4.615 -2.208 -1.287 724 HB3 LEU 93 2HB LEU 93 3.060 -1.440 -1.540 725 HG LEU 93 HG LEU 93 3.283 -3.528 0.596 726 HD11 LEU 93 1HD1 LEU 93 4.659 -2.412 1.940 727 HD12 LEU 93 2HD1 LEU 93 5.109 -1.430 0.525 728 HD13 LEU 93 3HD1 LEU 93 3.833 -0.866 1.630 729 HD21 LEU 93 1HD2 LEU 93 1.253 -2.799 1.109 730 HD22 LEU 93 2HD2 LEU 93 1.862 -1.138 1.315 731 HD23 LEU 93 3HD2 LEU 93 1.320 -1.696 -0.287 732 H CYS 94 H CYS 94 5.452 -4.244 -2.864 733 HA CYS 94 HA CYS 94 5.259 -6.796 -1.435 734 HB2 CYS 94 1HB CYS 94 6.821 -7.681 -3.215 735 HB3 CYS 94 2HB CYS 94 5.188 -7.332 -3.746 736 HG CYS 94 HG CYS 94 5.682 -4.941 -4.692 737 H ALA 95 H ALA 95 7.733 -7.676 -1.206 738 HA ALA 95 HA ALA 95 9.186 -5.440 0.008 739 HB1 ALA 95 1HB ALA 95 10.348 -7.299 1.253 740 HB2 ALA 95 2HB ALA 95 8.597 -7.203 1.559 741 HB3 ALA 95 3HB ALA 95 9.243 -8.449 0.463 742 H VAL 96 H VAL 96 11.013 -4.699 -0.952 743 HA VAL 96 HA VAL 96 12.336 -6.521 -2.840 744 HB VAL 96 HB VAL 96 12.064 -3.527 -3.136 745 HG11 VAL 96 1HG1 VAL 96 13.600 -5.594 -4.500 746 HG12 VAL 96 2HG1 VAL 96 12.533 -4.714 -5.620 747 HG13 VAL 96 3HG1 VAL 96 13.708 -3.821 -4.625 748 HG21 VAL 96 1HG2 VAL 96 10.034 -5.444 -3.501 749 HG22 VAL 96 2HG2 VAL 96 10.046 -3.755 -4.061 750 HG23 VAL 96 3HG2 VAL 96 10.627 -5.051 -5.133 751 H ASN 97 H ASN 97 14.374 -7.003 -2.220 752 HA ASN 97 HA ASN 97 15.736 -4.973 -0.634 753 HB2 ASN 97 1HB ASN 97 16.889 -6.926 0.547 754 HB3 ASN 97 2HB ASN 97 15.179 -6.777 0.902 755 HD21 ASN 97 1HD2 ASN 97 16.055 -9.106 1.473 756 HD22 ASN 97 2HD2 ASN 97 15.684 -10.330 0.305 757 H ASP 98 H ASP 98 18.293 -5.864 -0.557 758 HA ASP 98 HA ASP 98 19.302 -5.434 -3.015 759 HB2 ASP 98 1HB ASP 98 21.412 -6.143 -2.132 760 HB3 ASP 98 2HB ASP 98 20.514 -5.526 -0.759 761 H VAL 99 H VAL 99 18.345 -8.526 -1.428 762 HA VAL 99 HA VAL 99 19.453 -10.280 -3.284 763 HB VAL 99 HB VAL 99 16.893 -10.716 -1.754 764 HG11 VAL 99 1HG1 VAL 99 17.560 -12.506 -3.285 765 HG12 VAL 99 2HG1 VAL 99 19.170 -12.572 -2.529 766 HG13 VAL 99 3HG1 VAL 99 17.727 -13.028 -1.592 767 HG21 VAL 99 1HG2 VAL 99 18.154 -9.882 -0.012 768 HG22 VAL 99 2HG2 VAL 99 18.624 -11.598 0.033 769 HG23 VAL 99 3HG2 VAL 99 19.697 -10.401 -0.732 770 H GLY 100 H GLY 100 16.340 -8.484 -3.208 771 HA2 GLY 100 1HA GLY 100 15.902 -8.008 -5.760 772 HA3 GLY 100 2HA GLY 100 15.524 -9.719 -5.729 773 H LYS 101 H LYS 101 13.287 -9.208 -6.279 774 HA LYS 101 HA LYS 101 11.818 -8.029 -4.024 775 HB2 LYS 101 1HB LYS 101 11.583 -6.655 -5.975 776 HB3 LYS 101 2HB LYS 101 11.230 -8.036 -6.994 777 HG2 LYS 101 1HG LYS 101 9.252 -8.402 -5.199 778 HG3 LYS 101 2HG LYS 101 9.473 -6.681 -4.954 779 HD2 LYS 101 1HD LYS 101 8.978 -8.000 -7.666 780 HD3 LYS 101 2HD LYS 101 7.747 -7.205 -6.705 781 HE2 LYS 101 1HE LYS 101 8.928 -5.051 -6.871 782 HE3 LYS 101 2HE LYS 101 10.287 -5.812 -7.674 783 HZ1 LYS 101 1HZ LYS 101 8.254 -4.713 -8.948 784 HZ2 LYS 101 2HZ LYS 101 9.178 -5.896 -9.591 785 HZ3 LYS 101 3HZ LYS 101 7.738 -6.262 -8.912 786 H GLY 102 H GLY 102 10.078 -9.161 -3.135 787 HA2 GLY 102 1HA GLY 102 10.053 -12.013 -3.773 788 HA3 GLY 102 2HA GLY 102 9.379 -11.229 -2.358 789 H GLN 103 H GLN 103 7.182 -11.088 -2.273 790 HA GLN 103 HA GLN 103 5.810 -10.970 -4.844 791 HB2 GLN 103 1HB GLN 103 3.924 -12.221 -3.481 792 HB3 GLN 103 2HB GLN 103 5.249 -13.130 -4.181 793 HG2 GLN 103 1HG GLN 103 6.244 -13.554 -2.121 794 HG3 GLN 103 2HG GLN 103 5.699 -12.043 -1.420 795 HE21 GLN 103 1HE2 GLN 103 5.481 -14.203 0.089 796 HE22 GLN 103 2HE2 GLN 103 3.844 -14.745 0.256 797 H PHE 104 H PHE 104 3.361 -10.231 -4.414 798 HA PHE 104 HA PHE 104 3.587 -7.876 -2.691 799 HB2 PHE 104 1HB PHE 104 1.781 -8.670 -5.054 800 HB3 PHE 104 2HB PHE 104 1.617 -7.152 -4.193 801 HD1 PHE 104 2HD PHE 104 4.334 -9.116 -5.854 802 HD2 PHE 104 1HD PHE 104 2.577 -5.312 -5.179 803 HE1 PHE 104 2HE PHE 104 6.022 -8.064 -7.385 804 HE2 PHE 104 1HE PHE 104 4.265 -4.261 -6.711 805 HZ PHE 104 HZ PHE 104 5.967 -5.649 -7.795 806 H SER 105 H SER 105 1.817 -7.275 -1.300 807 HA SER 105 HA SER 105 0.631 -9.491 -0.074 808 HB2 SER 105 1HB SER 105 -0.728 -7.521 1.080 809 HB3 SER 105 2HB SER 105 0.973 -7.756 1.428 810 HG SER 105 HG SER 105 -0.310 -5.689 -0.008 811 H LYS 106 H LYS 106 -1.786 -9.763 0.272 812 HA LYS 106 HA LYS 106 -3.097 -9.940 -2.182 813 HB2 LYS 106 1HB LYS 106 -3.863 -10.301 0.694 814 HB3 LYS 106 2HB LYS 106 -5.131 -10.243 -0.513 815 HG2 LYS 106 1HG LYS 106 -2.718 -12.115 -0.596 816 HG3 LYS 106 2HG LYS 106 -4.331 -12.577 -0.091 817 HD2 LYS 106 1HD LYS 106 -4.618 -11.289 -2.635 818 HD3 LYS 106 2HD LYS 106 -3.256 -12.382 -2.784 819 HE2 LYS 106 1HE LYS 106 -4.685 -14.233 -1.816 820 HE3 LYS 106 2HE LYS 106 -6.047 -13.130 -1.787 821 HZ1 LYS 106 1HZ LYS 106 -6.294 -14.121 -3.796 822 HZ2 LYS 106 2HZ LYS 106 -5.409 -12.829 -4.259 823 HZ3 LYS 106 3HZ LYS 106 -4.694 -14.287 -4.081 824 H ASP 107 H ASP 107 -5.159 -8.864 -2.820 825 HA ASP 107 HA ASP 107 -4.795 -6.138 -2.913 826 HB2 ASP 107 1HB ASP 107 -7.260 -6.160 -3.694 827 HB3 ASP 107 2HB ASP 107 -6.122 -7.114 -4.624 828 H THR 108 H THR 108 -5.011 -4.732 -1.164 829 HA THR 108 HA THR 108 -6.167 -5.350 1.253 830 HB THR 108 HB THR 108 -6.115 -2.819 1.539 831 HG1 THR 108 1HG THR 108 -6.605 -2.078 -0.546 832 HG21 THR 108 1HG2 THR 108 -3.621 -2.792 0.250 833 HG22 THR 108 2HG2 THR 108 -3.902 -3.282 1.938 834 HG23 THR 108 3HG2 THR 108 -3.856 -4.511 0.651 835 H GLU 109 H GLU 109 -8.033 -3.776 2.189 836 HA GLU 109 HA GLU 109 -10.346 -4.810 0.966 837 HB2 GLU 109 1HB GLU 109 -10.803 -4.607 3.192 838 HB3 GLU 109 2HB GLU 109 -9.644 -3.312 3.416 839 HG2 GLU 109 1HG GLU 109 -11.196 -1.636 2.668 840 HG3 GLU 109 2HG GLU 109 -12.269 -2.826 1.959 841 H ARG 110 H ARG 110 -11.503 -3.962 -0.709 842 HA ARG 110 HA ARG 110 -10.823 -1.961 -2.232 843 HB2 ARG 110 1HB ARG 110 -13.073 -3.539 -2.019 844 HB3 ARG 110 2HB ARG 110 -13.768 -1.966 -1.681 845 HG2 ARG 110 1HG ARG 110 -12.515 -1.138 -3.807 846 HG3 ARG 110 2HG ARG 110 -12.249 -2.831 -4.175 847 HD2 ARG 110 1HD ARG 110 -15.064 -2.062 -3.470 848 HD3 ARG 110 2HD ARG 110 -14.459 -1.456 -4.999 849 HE ARG 110 HE ARG 110 -14.987 -4.266 -4.311 850 HH11 ARG 110 2HH2 ARG 110 -13.342 -2.069 -6.513 851 HH12 ARG 110 1HH2 ARG 110 -13.220 -3.234 -7.789 852 HH21 ARG 110 2HH1 ARG 110 -14.825 -5.805 -5.993 853 HH22 ARG 110 1HH1 ARG 110 -14.069 -5.374 -7.491 854 H VAL 111 H VAL 111 -10.065 0.038 -1.528 855 HA VAL 111 HA VAL 111 -11.514 1.412 0.573 856 HB VAL 111 HB VAL 111 -9.030 2.230 -0.942 857 HG11 VAL 111 1HG1 VAL 111 -8.741 3.348 1.474 858 HG12 VAL 111 2HG1 VAL 111 -9.604 4.156 0.144 859 HG13 VAL 111 3HG1 VAL 111 -10.520 3.305 1.411 860 HG21 VAL 111 1HG2 VAL 111 -7.823 1.354 1.106 861 HG22 VAL 111 2HG2 VAL 111 -9.341 0.541 1.556 862 HG23 VAL 111 3HG2 VAL 111 -8.520 0.115 0.035 863 H SER 112 H SER 112 -13.355 2.437 -0.052 864 HA SER 112 HA SER 112 -13.388 3.599 -2.696 865 HB2 SER 112 1HB SER 112 -15.376 2.407 -2.339 866 HB3 SER 112 2HB SER 112 -15.474 2.859 -0.649 867 HG SER 112 HG SER 112 -17.063 3.980 -1.938 868 H LEU 113 H LEU 113 -13.585 5.846 -3.078 869 HA LEU 113 HA LEU 113 -12.992 7.493 -0.751 870 HB2 LEU 113 1HB LEU 113 -12.038 7.395 -3.378 871 HB3 LEU 113 2HB LEU 113 -13.019 8.846 -3.313 872 HG LEU 113 HG LEU 113 -11.480 8.935 -0.970 873 HD11 LEU 113 1HD1 LEU 113 -9.204 8.865 -2.554 874 HD12 LEU 113 2HD1 LEU 113 -9.677 7.676 -1.317 875 HD13 LEU 113 3HD1 LEU 113 -10.097 7.399 -3.024 876 HD21 LEU 113 1HD2 LEU 113 -11.648 11.006 -1.789 877 HD22 LEU 113 2HD2 LEU 113 -10.189 10.612 -2.730 878 HD23 LEU 113 3HD2 LEU 113 -11.800 10.433 -3.467 879 HA PRO 114 HA PRO 114 -17.032 9.033 -0.681 880 HB2 PRO 114 1HB PRO 114 -16.666 11.219 0.919 881 HB3 PRO 114 2HB PRO 114 -16.846 9.592 1.545 882 HG2 PRO 114 1HG PRO 114 -14.396 11.230 1.320 883 HG3 PRO 114 2HG PRO 114 -14.680 9.810 2.306 884 HD2 PRO 114 1HD PRO 114 -13.194 9.928 -0.144 885 HD3 PRO 114 2HD PRO 114 -13.577 8.490 0.781 886 H GLU 115 H GLU 115 -18.436 10.301 -1.820 887 HA GLU 115 HA GLU 115 -17.193 11.768 -3.862 888 HB2 GLU 115 1HB GLU 115 -19.605 10.552 -3.604 889 HB3 GLU 115 2HB GLU 115 -20.099 12.198 -3.262 890 HG2 GLU 115 1HG GLU 115 -19.483 12.980 -5.400 891 HG3 GLU 115 2HG GLU 115 -18.317 11.696 -5.652 892 H SER 116 H SER 116 -16.072 13.619 -3.324 893 HA SER 116 HA SER 116 -16.355 15.191 -1.216 894 HB2 SER 116 1HB SER 116 -14.986 15.333 -3.629 895 HB3 SER 116 2HB SER 116 -15.982 16.773 -3.697 896 HG SER 116 HG SER 116 -14.360 16.092 -1.400 897 H GLY 117 H GLY 117 -17.992 15.865 -4.405 898 HA2 GLY 117 1HA GLY 117 -20.284 16.395 -4.552 899 HA3 GLY 117 2HA GLY 117 -20.254 17.009 -2.911 900 HA PRO 118 HA PRO 118 -19.437 20.385 -6.021 901 HB2 PRO 118 1HB PRO 118 -21.937 21.374 -6.509 902 HB3 PRO 118 2HB PRO 118 -21.119 20.262 -7.588 903 HG2 PRO 118 1HG PRO 118 -23.342 19.729 -5.714 904 HG3 PRO 118 2HG PRO 118 -22.803 18.770 -7.078 905 HD2 PRO 118 1HD PRO 118 -22.308 18.237 -4.303 906 HD3 PRO 118 2HD PRO 118 -21.673 17.345 -5.672 907 H SER 119 H SER 119 -18.355 21.140 -4.131 908 HA SER 119 HA SER 119 -20.070 23.097 -2.823 909 HB2 SER 119 1HB SER 119 -19.112 22.613 -0.673 910 HB3 SER 119 2HB SER 119 -19.596 21.075 -1.359 911 HG SER 119 HG SER 119 -17.267 20.967 -2.165 912 H SER 120 H SER 120 -19.310 25.045 -3.588 913 HA SER 120 HA SER 120 -16.445 25.260 -3.994 914 HB2 SER 120 1HB SER 120 -17.137 27.439 -5.181 915 HB3 SER 120 2HB SER 120 -17.608 25.936 -5.950 916 HG SER 120 HG SER 120 -19.358 27.364 -4.146 917 H GLY 121 H GLY 121 -15.304 26.106 -2.292 918 HA2 GLY 121 1HA GLY 121 -16.212 28.549 -1.042 919 HA3 GLY 121 2HA GLY 121 -16.237 27.151 0.014 Start of MODEL 20 1 H1 GLY 1 H GLY 1 8.424 -40.475 -20.077 2 HA2 GLY 1 1HA GLY 1 6.766 -38.522 -19.175 3 HA3 GLY 1 2HA GLY 1 6.224 -39.938 -18.297 4 H SER 2 H SER 2 7.141 -38.120 -16.628 5 HA SER 2 HA SER 2 9.316 -39.335 -15.430 6 HB2 SER 2 1HB SER 2 10.754 -38.350 -17.093 7 HB3 SER 2 2HB SER 2 9.942 -36.801 -16.991 8 HG SER 2 HG SER 2 12.027 -37.784 -15.472 9 H SER 3 H SER 3 9.291 -38.752 -13.247 10 HA SER 3 HA SER 3 7.382 -36.692 -12.584 11 HB2 SER 3 1HB SER 3 7.422 -37.657 -10.330 12 HB3 SER 3 2HB SER 3 7.186 -38.926 -11.515 13 HG SER 3 HG SER 3 9.349 -39.581 -11.287 14 H GLY 4 H GLY 4 7.990 -35.321 -10.525 15 HA2 GLY 4 1HA GLY 4 10.286 -33.796 -11.140 16 HA3 GLY 4 2HA GLY 4 9.269 -33.654 -9.720 17 H SER 5 H SER 5 11.637 -33.183 -8.897 18 HA SER 5 HA SER 5 12.429 -35.584 -7.558 19 HB2 SER 5 1HB SER 5 14.751 -35.548 -8.235 20 HB3 SER 5 2HB SER 5 13.776 -35.581 -9.690 21 HG SER 5 HG SER 5 15.529 -34.008 -9.783 22 H SER 6 H SER 6 14.325 -34.979 -5.932 23 HA SER 6 HA SER 6 13.485 -32.510 -4.726 24 HB2 SER 6 1HB SER 6 13.948 -34.886 -3.603 25 HB3 SER 6 2HB SER 6 15.602 -34.311 -3.548 26 HG SER 6 HG SER 6 14.721 -32.340 -2.461 27 H GLY 7 H GLY 7 14.841 -30.695 -4.376 28 HA2 GLY 7 1HA GLY 7 17.094 -30.479 -6.166 29 HA3 GLY 7 2HA GLY 7 16.404 -29.230 -5.150 30 H ARG 8 H ARG 8 17.751 -28.505 -3.570 31 HA ARG 8 HA ARG 8 19.096 -30.405 -1.950 32 HB2 ARG 8 1HB ARG 8 20.562 -29.772 -4.123 33 HB3 ARG 8 2HB ARG 8 20.947 -28.351 -3.172 34 HG2 ARG 8 1HG ARG 8 21.388 -30.158 -1.242 35 HG3 ARG 8 2HG ARG 8 21.588 -31.248 -2.600 36 HD2 ARG 8 1HD ARG 8 23.025 -28.598 -2.719 37 HD3 ARG 8 2HD ARG 8 23.648 -29.808 -1.616 38 HE ARG 8 HE ARG 8 23.297 -31.246 -3.945 39 HH11 ARG 8 2HH2 ARG 8 24.947 -28.228 -3.202 40 HH12 ARG 8 1HH2 ARG 8 26.128 -28.417 -4.454 41 HH21 ARG 8 2HH1 ARG 8 24.855 -31.496 -5.598 42 HH22 ARG 8 1HH1 ARG 8 26.076 -30.288 -5.826 43 H SER 9 H SER 9 20.095 -29.328 -0.012 44 HA SER 9 HA SER 9 18.705 -26.845 0.494 45 HB2 SER 9 1HB SER 9 19.053 -27.312 2.841 46 HB3 SER 9 2HB SER 9 18.506 -28.793 2.082 47 HG SER 9 HG SER 9 20.360 -29.753 2.571 48 H ALA 10 H ALA 10 19.943 -25.145 1.843 49 HA ALA 10 HA ALA 10 22.758 -25.089 0.989 50 HB1 ALA 10 1HB ALA 10 21.631 -23.502 -0.377 51 HB2 ALA 10 2HB ALA 10 20.625 -22.931 0.976 52 HB3 ALA 10 3HB ALA 10 22.363 -22.547 0.935 53 H HIS 11 H HIS 11 24.252 -24.133 2.484 54 HA HIS 11 HA HIS 11 23.211 -24.185 5.207 55 HB2 HIS 11 1HB HIS 11 25.405 -25.409 4.050 56 HB3 HIS 11 2HB HIS 11 26.120 -24.023 4.848 57 HD1 HIS 11 1HD HIS 11 23.856 -26.995 5.673 58 HD2 HIS 11 2HD HIS 11 26.485 -24.324 7.558 59 HE1 HIS 11 1HE HIS 11 24.112 -27.819 8.074 60 H LEU 12 H LEU 12 25.642 -22.334 3.227 61 HA LEU 12 HA LEU 12 25.802 -20.191 4.981 62 HB2 LEU 12 1HB LEU 12 26.499 -20.721 2.143 63 HB3 LEU 12 2HB LEU 12 26.417 -19.043 2.641 64 HG LEU 12 HG LEU 12 28.693 -19.905 2.774 65 HD11 LEU 12 1HD1 LEU 12 27.434 -18.372 4.642 66 HD12 LEU 12 2HD1 LEU 12 28.144 -19.650 5.658 67 HD13 LEU 12 3HD1 LEU 12 29.186 -18.681 4.589 68 HD21 LEU 12 1HD2 LEU 12 29.157 -21.572 4.699 69 HD22 LEU 12 2HD2 LEU 12 27.439 -22.005 4.525 70 HD23 LEU 12 3HD2 LEU 12 28.548 -22.193 3.146 71 H ARG 13 H ARG 13 25.080 -17.870 4.401 72 HA ARG 13 HA ARG 13 22.321 -17.859 4.469 73 HB2 ARG 13 1HB ARG 13 24.401 -15.684 3.982 74 HB3 ARG 13 2HB ARG 13 22.690 -15.304 4.013 75 HG2 ARG 13 1HG ARG 13 22.858 -15.147 6.271 76 HG3 ARG 13 2HG ARG 13 23.044 -16.889 6.308 77 HD2 ARG 13 1HD ARG 13 25.276 -16.759 6.802 78 HD3 ARG 13 2HD ARG 13 25.563 -15.516 5.601 79 HE ARG 13 HE ARG 13 25.289 -13.874 7.254 80 HH11 ARG 13 2HH2 ARG 13 24.041 -16.943 8.439 81 HH12 ARG 13 1HH2 ARG 13 23.805 -16.369 10.056 82 HH21 ARG 13 2HH1 ARG 13 24.978 -13.116 9.387 83 HH22 ARG 13 1HH1 ARG 13 24.341 -14.177 10.599 84 H VAL 14 H VAL 14 20.770 -17.815 2.848 85 HA VAL 14 HA VAL 14 21.781 -17.496 0.112 86 HB VAL 14 HB VAL 14 20.585 -19.635 1.107 87 HG11 VAL 14 1HG1 VAL 14 18.182 -18.131 0.052 88 HG12 VAL 14 2HG1 VAL 14 18.232 -19.694 0.902 89 HG13 VAL 14 3HG1 VAL 14 18.583 -18.189 1.786 90 HG21 VAL 14 1HG2 VAL 14 20.637 -18.386 -1.569 91 HG22 VAL 14 2HG2 VAL 14 21.132 -20.015 -1.049 92 HG23 VAL 14 3HG2 VAL 14 19.415 -19.664 -1.363 93 H ARG 15 H ARG 15 21.196 -15.710 -1.014 94 HA ARG 15 HA ARG 15 19.792 -13.694 0.215 95 HB2 ARG 15 1HB ARG 15 20.940 -14.240 -2.460 96 HB3 ARG 15 2HB ARG 15 19.541 -13.189 -2.539 97 HG2 ARG 15 1HG ARG 15 20.606 -11.755 -0.716 98 HG3 ARG 15 2HG ARG 15 22.043 -12.749 -0.845 99 HD2 ARG 15 1HD ARG 15 21.070 -11.763 -3.470 100 HD3 ARG 15 2HD ARG 15 21.513 -10.473 -2.369 101 HE ARG 15 HE ARG 15 23.342 -12.179 -3.739 102 HH11 ARG 15 2HH2 ARG 15 22.842 -10.841 -0.523 103 HH12 ARG 15 1HH2 ARG 15 24.524 -10.865 -0.112 104 HH21 ARG 15 2HH1 ARG 15 25.562 -12.211 -3.197 105 HH22 ARG 15 1HH1 ARG 15 26.082 -11.649 -1.644 106 H GLN 16 H GLN 16 17.779 -14.685 0.997 107 HA GLN 16 HA GLN 16 15.955 -15.556 -1.061 108 HB2 GLN 16 1HB GLN 16 16.289 -16.813 1.134 109 HB3 GLN 16 2HB GLN 16 15.515 -15.471 1.953 110 HG2 GLN 16 1HG GLN 16 13.480 -16.325 1.444 111 HG3 GLN 16 2HG GLN 16 13.831 -16.158 -0.265 112 HE21 GLN 16 1HE2 GLN 16 16.053 -17.902 -0.395 113 HE22 GLN 16 2HE2 GLN 16 15.504 -19.534 -0.209 114 H LEU 17 H LEU 17 13.947 -14.527 -1.520 115 HA LEU 17 HA LEU 17 13.969 -11.724 -1.170 116 HB2 LEU 17 1HB LEU 17 11.724 -13.504 -2.124 117 HB3 LEU 17 2HB LEU 17 11.877 -11.777 -2.379 118 HG LEU 17 HG LEU 17 12.595 -12.504 -4.407 119 HD11 LEU 17 1HD1 LEU 17 15.153 -12.719 -4.415 120 HD12 LEU 17 2HD1 LEU 17 14.442 -11.227 -3.756 121 HD13 LEU 17 3HD1 LEU 17 15.047 -12.486 -2.653 122 HD21 LEU 17 1HD2 LEU 17 12.659 -15.007 -3.168 123 HD22 LEU 17 2HD2 LEU 17 12.866 -14.653 -4.900 124 HD23 LEU 17 3HD2 LEU 17 14.292 -14.786 -3.842 125 HA PRO 18 HA PRO 18 11.826 -11.397 2.563 126 HB2 PRO 18 1HB PRO 18 10.838 -8.856 2.377 127 HB3 PRO 18 2HB PRO 18 12.492 -9.209 2.833 128 HG2 PRO 18 1HG PRO 18 11.458 -8.179 0.262 129 HG3 PRO 18 2HG PRO 18 13.097 -8.138 0.882 130 HD2 PRO 18 1HD PRO 18 12.064 -9.914 -1.119 131 HD3 PRO 18 2HD PRO 18 13.669 -9.947 -0.416 132 H HIS 19 H HIS 19 9.915 -11.870 3.570 133 HA HIS 19 HA HIS 19 7.900 -12.749 1.853 134 HB2 HIS 19 1HB HIS 19 7.996 -12.245 4.832 135 HB3 HIS 19 2HB HIS 19 6.574 -12.886 4.035 136 HD1 HIS 19 1HD HIS 19 7.927 -14.635 6.119 137 HD2 HIS 19 2HD HIS 19 8.941 -14.735 2.050 138 HE1 HIS 19 1HE HIS 19 9.006 -16.910 5.707 139 H ALA 20 H ALA 20 5.750 -11.926 1.480 140 HA ALA 20 HA ALA 20 5.698 -9.159 1.012 141 HB1 ALA 20 1HB ALA 20 3.639 -9.595 0.012 142 HB2 ALA 20 2HB ALA 20 4.415 -11.195 -0.069 143 HB3 ALA 20 3HB ALA 20 3.211 -10.854 1.196 144 HA PRO 21 HA PRO 21 4.038 -7.601 4.690 145 HB2 PRO 21 1HB PRO 21 2.308 -5.650 3.872 146 HB3 PRO 21 2HB PRO 21 4.046 -5.434 3.913 147 HG2 PRO 21 1HG PRO 21 2.287 -5.863 1.577 148 HG3 PRO 21 2HG PRO 21 3.921 -5.232 1.619 149 HD2 PRO 21 1HD PRO 21 3.120 -7.871 0.830 150 HD3 PRO 21 2HD PRO 21 4.761 -7.275 0.983 151 H GLU 22 H GLU 22 2.606 -7.996 6.319 152 HA GLU 22 HA GLU 22 0.318 -9.497 5.364 153 HB2 GLU 22 1HB GLU 22 1.721 -9.322 8.056 154 HB3 GLU 22 2HB GLU 22 0.164 -10.107 7.880 155 HG2 GLU 22 1HG GLU 22 1.851 -11.085 5.763 156 HG3 GLU 22 2HG GLU 22 2.789 -11.149 7.242 157 H HIS 23 H HIS 23 -1.666 -9.255 7.081 158 HA HIS 23 HA HIS 23 -3.419 -7.878 7.303 159 HB2 HIS 23 1HB HIS 23 -3.353 -7.063 9.408 160 HB3 HIS 23 2HB HIS 23 -1.835 -7.936 9.449 161 HD1 HIS 23 1HD HIS 23 -3.191 -4.726 10.256 162 HD2 HIS 23 2HD HIS 23 0.430 -6.048 8.603 163 HE1 HIS 23 1HE HIS 23 -1.521 -2.825 10.580 164 HA PRO 24 HA PRO 24 -1.781 -4.501 4.659 165 HB2 PRO 24 1HB PRO 24 -2.729 -5.313 2.228 166 HB3 PRO 24 2HB PRO 24 -1.090 -5.618 2.767 167 HG2 PRO 24 1HG PRO 24 -3.363 -7.499 2.589 168 HG3 PRO 24 2HG PRO 24 -1.652 -7.854 2.710 169 HD2 PRO 24 1HD PRO 24 -3.594 -8.037 4.812 170 HD3 PRO 24 2HD PRO 24 -1.865 -8.279 4.959 171 H VAL 25 H VAL 25 -3.301 -3.448 6.126 172 HA VAL 25 HA VAL 25 -5.971 -3.310 4.959 173 HB VAL 25 HB VAL 25 -4.868 -2.255 7.571 174 HG11 VAL 25 1HG1 VAL 25 -6.729 -0.954 7.344 175 HG12 VAL 25 2HG1 VAL 25 -7.539 -2.101 6.250 176 HG13 VAL 25 3HG1 VAL 25 -7.507 -2.413 8.003 177 HG21 VAL 25 1HG2 VAL 25 -4.841 -4.746 7.366 178 HG22 VAL 25 2HG2 VAL 25 -5.927 -4.142 8.641 179 HG23 VAL 25 3HG2 VAL 25 -6.599 -4.702 7.090 180 H ALA 26 H ALA 26 -6.858 -1.401 4.133 181 HA ALA 26 HA ALA 26 -5.015 0.883 4.021 182 HB1 ALA 26 1HB ALA 26 -5.128 -0.558 1.895 183 HB2 ALA 26 2HB ALA 26 -6.806 0.015 1.730 184 HB3 ALA 26 3HB ALA 26 -5.461 1.180 1.703 185 H THR 27 H THR 27 -5.959 2.426 5.268 186 HA THR 27 HA THR 27 -8.891 2.640 5.135 187 HB THR 27 HB THR 27 -8.171 4.102 7.315 188 HG1 THR 27 1HG THR 27 -6.183 3.284 8.075 189 HG21 THR 27 1HG2 THR 27 -8.515 2.120 8.706 190 HG22 THR 27 2HG2 THR 27 -9.601 1.978 7.304 191 HG23 THR 27 3HG2 THR 27 -8.088 1.042 7.355 192 H LEU 28 H LEU 28 -9.876 4.737 4.987 193 HA LEU 28 HA LEU 28 -8.651 6.329 3.038 194 HB2 LEU 28 1HB LEU 28 -11.160 6.196 4.487 195 HB3 LEU 28 2HB LEU 28 -10.643 7.855 4.259 196 HG LEU 28 HG LEU 28 -11.065 5.786 2.086 197 HD11 LEU 28 1HD1 LEU 28 -13.013 6.924 1.486 198 HD12 LEU 28 2HD1 LEU 28 -13.074 6.875 3.264 199 HD13 LEU 28 3HD1 LEU 28 -12.579 8.368 2.432 200 HD21 LEU 28 1HD2 LEU 28 -9.938 7.032 0.630 201 HD22 LEU 28 2HD2 LEU 28 -10.739 8.525 1.174 202 HD23 LEU 28 3HD2 LEU 28 -9.290 7.932 2.022 203 H SER 29 H SER 29 -8.739 8.939 3.581 204 HA SER 29 HA SER 29 -6.987 9.189 5.901 205 HB2 SER 29 1HB SER 29 -6.874 10.525 3.174 206 HB3 SER 29 2HB SER 29 -6.045 11.211 4.557 207 HG SER 29 HG SER 29 -4.491 9.901 3.744 208 H THR 30 H THR 30 -9.116 9.558 7.066 209 HA THR 30 HA THR 30 -10.937 11.504 6.508 210 HB THR 30 HB THR 30 -11.246 11.511 9.034 211 HG1 THR 30 1HG THR 30 -9.148 11.253 9.825 212 HG21 THR 30 1HG2 THR 30 -11.014 8.792 9.158 213 HG22 THR 30 2HG2 THR 30 -12.369 9.597 8.332 214 HG23 THR 30 3HG2 THR 30 -10.976 9.009 7.392 215 H VAL 31 H VAL 31 -7.573 11.927 7.423 216 HA VAL 31 HA VAL 31 -8.015 14.703 8.119 217 HB VAL 31 HB VAL 31 -5.953 12.676 8.473 218 HG11 VAL 31 1HG1 VAL 31 -4.556 13.804 6.967 219 HG12 VAL 31 2HG1 VAL 31 -5.166 15.405 7.450 220 HG13 VAL 31 3HG1 VAL 31 -4.108 14.487 8.549 221 HG21 VAL 31 1HG2 VAL 31 -7.362 14.036 10.181 222 HG22 VAL 31 2HG2 VAL 31 -5.646 13.722 10.536 223 HG23 VAL 31 3HG2 VAL 31 -6.151 15.314 9.920 224 H GLU 32 H GLU 32 -5.981 12.876 5.715 225 HA GLU 32 HA GLU 32 -5.837 15.268 4.139 226 HB2 GLU 32 1HB GLU 32 -4.350 12.752 4.371 227 HB3 GLU 32 2HB GLU 32 -4.672 13.142 2.693 228 HG2 GLU 32 1HG GLU 32 -2.900 14.560 2.804 229 HG3 GLU 32 2HG GLU 32 -3.920 15.616 3.759 230 H ARG 33 H ARG 33 -7.226 15.767 2.496 231 HA ARG 33 HA ARG 33 -9.345 14.046 1.936 232 HB2 ARG 33 1HB ARG 33 -8.350 16.695 0.907 233 HB3 ARG 33 2HB ARG 33 -9.483 15.834 -0.116 234 HG2 ARG 33 1HG ARG 33 -9.995 16.374 2.844 235 HG3 ARG 33 2HG ARG 33 -10.531 17.452 1.571 236 HD2 ARG 33 1HD ARG 33 -11.889 15.645 0.557 237 HD3 ARG 33 2HD ARG 33 -11.286 14.494 1.733 238 HE ARG 33 HE ARG 33 -12.805 15.341 3.295 239 HH11 ARG 33 2HH2 ARG 33 -12.375 17.707 0.726 240 HH12 ARG 33 1HH2 ARG 33 -13.617 18.761 1.315 241 HH21 ARG 33 2HH1 ARG 33 -14.443 16.732 4.072 242 HH22 ARG 33 1HH1 ARG 33 -14.801 18.203 3.231 243 H ARG 34 H ARG 34 -9.819 12.821 0.006 244 HA ARG 34 HA ARG 34 -9.313 11.418 -1.565 245 HB2 ARG 34 1HB ARG 34 -8.362 14.043 -2.465 246 HB3 ARG 34 2HB ARG 34 -7.428 12.767 -3.220 247 HG2 ARG 34 1HG ARG 34 -9.275 11.873 -4.341 248 HG3 ARG 34 2HG ARG 34 -10.416 12.411 -3.125 249 HD2 ARG 34 1HD ARG 34 -10.447 13.657 -5.401 250 HD3 ARG 34 2HD ARG 34 -10.448 14.646 -3.954 251 HE ARG 34 HE ARG 34 -7.742 14.304 -4.542 252 HH11 ARG 34 2HH2 ARG 34 -10.533 15.552 -6.283 253 HH12 ARG 34 1HH2 ARG 34 -9.603 16.654 -7.242 254 HH21 ARG 34 2HH1 ARG 34 -6.514 15.758 -5.807 255 HH22 ARG 34 1HH1 ARG 34 -7.301 16.772 -6.970 256 H ALA 35 H ALA 35 -7.844 10.778 0.646 257 HA ALA 35 HA ALA 35 -5.376 9.796 -0.538 258 HB1 ALA 35 1HB ALA 35 -4.598 11.813 0.509 259 HB2 ALA 35 2HB ALA 35 -5.556 11.496 1.976 260 HB3 ALA 35 3HB ALA 35 -4.155 10.469 1.588 261 H ILE 36 H ILE 36 -4.623 7.843 0.473 262 HA ILE 36 HA ILE 36 -6.508 6.740 2.433 263 HB ILE 36 HB ILE 36 -5.320 5.274 0.075 264 HG12 ILE 36 1HG1 ILE 36 -8.218 6.036 0.499 265 HG13 ILE 36 2HG1 ILE 36 -7.108 7.003 -0.451 266 HG21 ILE 36 1HG2 ILE 36 -6.865 3.462 0.770 267 HG22 ILE 36 2HG2 ILE 36 -5.589 3.802 1.965 268 HG23 ILE 36 3HG2 ILE 36 -7.246 4.391 2.240 269 HD11 ILE 36 1HD1 ILE 36 -8.057 5.622 -2.093 270 HD12 ILE 36 2HD1 ILE 36 -6.580 4.718 -1.682 271 HD13 ILE 36 3HD1 ILE 36 -8.147 4.218 -1.002 272 H ASN 37 H ASN 37 -5.534 6.073 4.272 273 HA ASN 37 HA ASN 37 -2.687 6.181 4.344 274 HB2 ASN 37 1HB ASN 37 -4.934 6.133 6.276 275 HB3 ASN 37 2HB ASN 37 -3.582 5.156 6.813 276 HD21 ASN 37 1HD2 ASN 37 -4.886 8.051 7.141 277 HD22 ASN 37 2HD2 ASN 37 -3.504 9.068 7.377 278 H LEU 38 H LEU 38 -1.601 4.360 3.546 279 HA LEU 38 HA LEU 38 -2.850 1.766 3.775 280 HB2 LEU 38 1HB LEU 38 -1.382 2.915 1.840 281 HB3 LEU 38 2HB LEU 38 -0.102 2.092 2.708 282 HG LEU 38 HG LEU 38 -1.158 0.864 0.749 283 HD11 LEU 38 1HD1 LEU 38 -1.067 -1.325 1.885 284 HD12 LEU 38 2HD1 LEU 38 0.289 -0.263 2.331 285 HD13 LEU 38 3HD1 LEU 38 -1.070 -0.492 3.457 286 HD21 LEU 38 1HD2 LEU 38 -3.377 0.180 2.674 287 HD22 LEU 38 2HD2 LEU 38 -3.520 1.511 1.500 288 HD23 LEU 38 3HD2 LEU 38 -3.259 -0.155 0.929 289 H THR 39 H THR 39 -2.325 0.176 5.223 290 HA THR 39 HA THR 39 0.073 0.584 6.854 291 HB THR 39 HB THR 39 -1.319 0.113 8.895 292 HG1 THR 39 1HG THR 39 -3.668 0.141 8.460 293 HG21 THR 39 1HG2 THR 39 -2.838 2.312 7.486 294 HG22 THR 39 2HG2 THR 39 -2.190 2.278 9.143 295 HG23 THR 39 3HG2 THR 39 -1.097 2.552 7.765 296 H TRP 40 H TRP 40 1.234 -1.229 7.198 297 HA TRP 40 HA TRP 40 -0.110 -3.790 6.909 298 HB2 TRP 40 1HB TRP 40 1.460 -4.631 5.284 299 HB3 TRP 40 2HB TRP 40 0.567 -3.269 4.635 300 HD1 TRP 40 HD TRP 40 4.128 -4.318 5.545 301 HE1 TRP 40 1HE TRP 40 5.908 -2.556 4.714 302 HE3 TRP 40 3HE TRP 40 0.754 -0.753 4.219 303 HZ2 TRP 40 2HZ TRP 40 5.710 0.072 3.620 304 HZ3 TRP 40 3HZ TRP 40 1.631 1.382 3.277 305 HH2 TRP 40 HH TRP 40 4.015 1.823 2.970 306 H THR 41 H THR 41 1.892 -5.528 7.245 307 HA THR 41 HA THR 41 3.328 -4.504 9.603 308 HB THR 41 HB THR 41 2.036 -7.163 8.882 309 HG1 THR 41 1HG THR 41 1.208 -6.656 11.076 310 HG21 THR 41 1HG2 THR 41 3.086 -8.157 10.872 311 HG22 THR 41 2HG2 THR 41 4.377 -7.627 9.768 312 HG23 THR 41 3HG2 THR 41 3.973 -6.649 11.198 313 H LYS 42 H LYS 42 5.496 -5.286 10.004 314 HA LYS 42 HA LYS 42 6.960 -5.400 7.532 315 HB2 LYS 42 1HB LYS 42 7.561 -4.030 9.607 316 HB3 LYS 42 2HB LYS 42 8.068 -5.537 10.343 317 HG2 LYS 42 1HG LYS 42 9.117 -5.094 7.587 318 HG3 LYS 42 2HG LYS 42 9.685 -3.938 8.775 319 HD2 LYS 42 1HD LYS 42 10.576 -5.697 10.195 320 HD3 LYS 42 2HD LYS 42 9.771 -6.946 9.266 321 HE2 LYS 42 1HE LYS 42 11.168 -6.328 7.263 322 HE3 LYS 42 2HE LYS 42 11.998 -5.126 8.231 323 HZ1 LYS 42 1HZ LYS 42 13.354 -6.835 8.622 324 HZ2 LYS 42 2HZ LYS 42 12.260 -7.264 9.756 325 HZ3 LYS 42 3HZ LYS 42 12.242 -7.984 8.290 326 HA PRO 43 HA PRO 43 6.926 -9.776 7.668 327 HB2 PRO 43 1HB PRO 43 7.916 -10.184 5.154 328 HB3 PRO 43 2HB PRO 43 6.211 -9.951 5.486 329 HG2 PRO 43 1HG PRO 43 8.145 -8.054 4.303 330 HG3 PRO 43 2HG PRO 43 6.394 -8.010 4.255 331 HD2 PRO 43 1HD PRO 43 8.106 -6.410 5.910 332 HD3 PRO 43 2HD PRO 43 6.354 -6.450 5.943 333 H PHE 44 H PHE 44 8.553 -11.618 7.117 334 HA PHE 44 HA PHE 44 10.914 -10.835 8.545 335 HB2 PHE 44 1HB PHE 44 9.846 -13.006 8.982 336 HB3 PHE 44 2HB PHE 44 9.767 -13.379 7.272 337 HD1 PHE 44 1HD PHE 44 12.079 -13.579 6.052 338 HD2 PHE 44 2HD PHE 44 11.570 -13.891 10.253 339 HE1 PHE 44 1HE PHE 44 14.252 -14.824 6.223 340 HE2 PHE 44 2HE PHE 44 13.743 -15.136 10.424 341 HZ PHE 44 HZ PHE 44 15.058 -15.587 8.407 342 H ASP 45 H ASP 45 12.898 -10.346 7.703 343 HA ASP 45 HA ASP 45 13.097 -10.095 4.903 344 HB2 ASP 45 1HB ASP 45 15.192 -9.053 5.335 345 HB3 ASP 45 2HB ASP 45 14.208 -8.645 6.727 346 H GLY 46 H GLY 46 13.988 -11.598 3.452 347 HA2 GLY 46 1HA GLY 46 14.377 -14.227 4.002 348 HA3 GLY 46 2HA GLY 46 15.147 -13.372 2.679 349 H ASN 47 H ASN 47 17.238 -12.168 3.185 350 HA ASN 47 HA ASN 47 18.569 -13.051 5.556 351 HB2 ASN 47 1HB ASN 47 19.147 -14.181 2.831 352 HB3 ASN 47 2HB ASN 47 20.550 -13.727 3.777 353 HD21 ASN 47 1HD2 ASN 47 19.513 -16.348 2.935 354 HD22 ASN 47 2HD2 ASN 47 19.329 -17.303 4.368 355 H SER 48 H SER 48 17.642 -10.549 4.060 356 HA SER 48 HA SER 48 20.131 -9.156 4.287 357 HB2 SER 48 1HB SER 48 19.408 -10.005 1.745 358 HB3 SER 48 2HB SER 48 18.721 -8.393 1.791 359 HG SER 48 HG SER 48 21.375 -9.171 1.607 360 HA PRO 49 HA PRO 49 17.386 -6.025 5.552 361 HB2 PRO 49 1HB PRO 49 18.709 -3.710 4.953 362 HB3 PRO 49 2HB PRO 49 19.088 -4.695 6.351 363 HG2 PRO 49 1HG PRO 49 20.580 -4.427 3.813 364 HG3 PRO 49 2HG PRO 49 21.137 -5.051 5.354 365 HD2 PRO 49 1HD PRO 49 20.417 -6.586 3.040 366 HD3 PRO 49 2HD PRO 49 20.863 -7.211 4.616 367 H LEU 50 H LEU 50 15.753 -4.472 5.061 368 HA LEU 50 HA LEU 50 14.846 -4.852 2.400 369 HB2 LEU 50 1HB LEU 50 13.873 -3.087 4.649 370 HB3 LEU 50 2HB LEU 50 13.041 -3.291 3.121 371 HG LEU 50 HG LEU 50 13.602 -5.489 5.132 372 HD11 LEU 50 1HD1 LEU 50 11.835 -4.676 6.213 373 HD12 LEU 50 2HD1 LEU 50 11.456 -3.537 4.898 374 HD13 LEU 50 3HD1 LEU 50 10.853 -5.211 4.828 375 HD21 LEU 50 1HD2 LEU 50 13.005 -5.641 2.344 376 HD22 LEU 50 2HD2 LEU 50 13.186 -6.959 3.527 377 HD23 LEU 50 3HD2 LEU 50 11.591 -6.218 3.258 378 H ILE 51 H ILE 51 14.517 -3.217 0.758 379 HA ILE 51 HA ILE 51 16.430 -1.004 1.038 380 HB ILE 51 HB ILE 51 15.795 -2.819 -1.264 381 HG12 ILE 51 1HG1 ILE 51 18.377 -1.871 0.013 382 HG13 ILE 51 2HG1 ILE 51 17.638 -3.448 0.211 383 HG21 ILE 51 1HG2 ILE 51 16.669 0.044 -1.372 384 HG22 ILE 51 2HG2 ILE 51 17.332 -1.120 -2.544 385 HG23 ILE 51 3HG2 ILE 51 15.574 -0.861 -2.445 386 HD11 ILE 51 1HD1 ILE 51 17.743 -3.536 -2.437 387 HD12 ILE 51 2HD1 ILE 51 18.982 -2.275 -2.229 388 HD13 ILE 51 3HD1 ILE 51 19.205 -3.874 -1.480 389 H ARG 52 H ARG 52 13.524 -2.010 -0.910 390 HA ARG 52 HA ARG 52 12.241 0.401 -0.065 391 HB2 ARG 52 1HB ARG 52 11.896 1.341 -2.262 392 HB3 ARG 52 2HB ARG 52 13.609 0.991 -2.155 393 HG2 ARG 52 1HG ARG 52 13.231 -1.184 -3.350 394 HG3 ARG 52 2HG ARG 52 11.524 -0.810 -3.476 395 HD2 ARG 52 1HD ARG 52 12.273 -0.032 -5.549 396 HD3 ARG 52 2HD ARG 52 12.384 1.441 -4.607 397 HE ARG 52 HE ARG 52 14.861 0.213 -4.238 398 HH11 ARG 52 2HH2 ARG 52 12.991 1.261 -7.028 399 HH12 ARG 52 1HH2 ARG 52 14.386 1.578 -8.005 400 HH21 ARG 52 2HH1 ARG 52 16.702 0.630 -5.526 401 HH22 ARG 52 1HH1 ARG 52 16.511 1.216 -7.145 402 H TYR 53 H TYR 53 9.940 0.470 -1.383 403 HA TYR 53 HA TYR 53 9.025 -2.286 -1.774 404 HB2 TYR 53 1HB TYR 53 8.213 -0.119 0.196 405 HB3 TYR 53 2HB TYR 53 6.913 -1.077 -0.486 406 HD1 TYR 53 2HD TYR 53 10.201 -1.463 1.268 407 HD2 TYR 53 1HD TYR 53 6.326 -3.109 0.510 408 HE1 TYR 53 2HE TYR 53 10.630 -3.284 2.989 409 HE2 TYR 53 1HE TYR 53 6.768 -4.925 2.234 410 HH TYR 53 HH TYR 53 8.083 -5.458 3.986 411 H ILE 54 H ILE 54 7.886 -2.483 -3.638 412 HA ILE 54 HA ILE 54 7.077 -0.021 -4.956 413 HB ILE 54 HB ILE 54 7.006 -2.832 -6.039 414 HG12 ILE 54 1HG1 ILE 54 9.308 -0.890 -6.329 415 HG13 ILE 54 2HG1 ILE 54 9.278 -2.157 -5.119 416 HG21 ILE 54 1HG2 ILE 54 7.510 -0.427 -7.718 417 HG22 ILE 54 2HG2 ILE 54 6.625 -1.927 -8.086 418 HG23 ILE 54 3HG2 ILE 54 5.861 -0.663 -7.092 419 HD11 ILE 54 1HD1 ILE 54 10.051 -3.604 -6.675 420 HD12 ILE 54 2HD1 ILE 54 8.525 -3.407 -7.569 421 HD13 ILE 54 3HD1 ILE 54 9.915 -2.360 -7.940 422 H LEU 55 H LEU 55 5.149 0.745 -4.213 423 HA LEU 55 HA LEU 55 3.065 -1.187 -3.599 424 HB2 LEU 55 1HB LEU 55 3.397 0.438 -1.925 425 HB3 LEU 55 2HB LEU 55 3.438 1.753 -3.082 426 HG LEU 55 HG LEU 55 1.340 1.416 -1.600 427 HD11 LEU 55 1HD1 LEU 55 0.031 2.571 -3.141 428 HD12 LEU 55 2HD1 LEU 55 1.696 2.928 -3.659 429 HD13 LEU 55 3HD1 LEU 55 0.732 1.713 -4.534 430 HD21 LEU 55 1HD2 LEU 55 -0.366 -0.007 -3.003 431 HD22 LEU 55 2HD2 LEU 55 1.103 -0.867 -3.524 432 HD23 LEU 55 3HD2 LEU 55 0.690 -0.777 -1.795 433 H GLU 56 H GLU 56 1.739 -1.854 -5.191 434 HA GLU 56 HA GLU 56 1.397 -0.039 -7.434 435 HB2 GLU 56 1HB GLU 56 1.465 -2.994 -7.109 436 HB3 GLU 56 2HB GLU 56 0.228 -2.419 -8.208 437 HG2 GLU 56 1HG GLU 56 2.287 -2.818 -9.471 438 HG3 GLU 56 2HG GLU 56 1.955 -1.098 -9.455 439 H MET 57 H MET 57 -0.536 0.995 -7.763 440 HA MET 57 HA MET 57 -2.708 0.171 -6.015 441 HB2 MET 57 1HB MET 57 -1.967 2.530 -5.816 442 HB3 MET 57 2HB MET 57 -2.120 2.763 -7.546 443 HG2 MET 57 1HG MET 57 -4.601 2.281 -7.349 444 HG3 MET 57 2HG MET 57 -4.412 2.174 -5.610 445 HE1 MET 57 1HE MET 57 -5.123 4.836 -8.512 446 HE2 MET 57 2HE MET 57 -3.684 5.847 -8.234 447 HE3 MET 57 3HE MET 57 -3.496 4.130 -8.661 448 H SER 58 H SER 58 -4.815 -0.251 -6.826 449 HA SER 58 HA SER 58 -4.948 -0.351 -9.738 450 HB2 SER 58 1HB SER 58 -4.902 -2.621 -9.353 451 HB3 SER 58 2HB SER 58 -5.467 -2.467 -7.701 452 HG SER 58 HG SER 58 -7.048 -2.351 -10.121 453 H GLU 59 H GLU 59 -6.383 1.247 -10.320 454 HA GLU 59 HA GLU 59 -8.392 2.065 -8.490 455 HB2 GLU 59 1HB GLU 59 -7.027 3.396 -10.378 456 HB3 GLU 59 2HB GLU 59 -8.393 2.933 -11.374 457 HG2 GLU 59 1HG GLU 59 -9.662 3.817 -9.067 458 HG3 GLU 59 2HG GLU 59 -8.266 4.874 -9.126 459 H ASN 60 H ASN 60 -10.573 2.653 -10.257 460 HA ASN 60 HA ASN 60 -12.066 0.421 -10.020 461 HB2 ASN 60 1HB ASN 60 -12.306 3.017 -11.272 462 HB3 ASN 60 2HB ASN 60 -12.931 1.834 -12.405 463 HD21 ASN 60 1HD2 ASN 60 -13.537 3.678 -9.668 464 HD22 ASN 60 2HD2 ASN 60 -15.021 2.961 -9.135 465 H ASN 61 H ASN 61 -11.340 -1.575 -10.859 466 HA ASN 61 HA ASN 61 -10.671 -3.087 -12.266 467 HB2 ASN 61 1HB ASN 61 -12.699 -1.521 -13.664 468 HB3 ASN 61 2HB ASN 61 -11.539 -2.123 -14.831 469 HD21 ASN 61 1HD2 ASN 61 -12.925 -3.571 -15.752 470 HD22 ASN 61 2HD2 ASN 61 -13.467 -5.025 -14.983 471 H ALA 62 H ALA 62 -9.036 -0.495 -11.912 472 HA ALA 62 HA ALA 62 -7.737 -0.176 -14.473 473 HB1 ALA 62 1HB ALA 62 -7.847 1.862 -13.391 474 HB2 ALA 62 2HB ALA 62 -7.678 1.138 -11.774 475 HB3 ALA 62 3HB ALA 62 -6.252 1.311 -12.825 476 HA PRO 63 HA PRO 63 -4.583 -3.023 -13.663 477 HB2 PRO 63 1HB PRO 63 -2.583 -2.084 -15.271 478 HB3 PRO 63 2HB PRO 63 -3.926 -3.037 -15.869 479 HG2 PRO 63 1HG PRO 63 -3.448 -0.132 -16.138 480 HG3 PRO 63 2HG PRO 63 -4.526 -1.157 -17.064 481 HD2 PRO 63 1HD PRO 63 -5.264 0.667 -14.977 482 HD3 PRO 63 2HD PRO 63 -6.325 -0.442 -15.823 483 H TRP 64 H TRP 64 -2.870 -3.543 -12.329 484 HA TRP 64 HA TRP 64 -2.371 -1.897 -10.252 485 HB2 TRP 64 1HB TRP 64 -0.595 -3.966 -11.542 486 HB3 TRP 64 2HB TRP 64 -0.184 -3.167 -10.038 487 HD1 TRP 64 HD TRP 64 -1.687 -6.283 -11.077 488 HE1 TRP 64 1HE TRP 64 -3.245 -7.422 -9.277 489 HE3 TRP 64 3HE TRP 64 -2.217 -2.154 -8.156 490 HZ2 TRP 64 2HZ TRP 64 -4.496 -6.489 -6.887 491 HZ3 TRP 64 3HZ TRP 64 -3.623 -2.353 -6.108 492 HH2 TRP 64 HH TRP 64 -4.742 -4.427 -5.457 493 H THR 65 H THR 65 -1.732 0.219 -10.292 494 HA THR 65 HA THR 65 0.336 0.950 -12.259 495 HB THR 65 HB THR 65 -1.922 2.029 -12.540 496 HG1 THR 65 1HG THR 65 0.165 3.727 -11.365 497 HG21 THR 65 1HG2 THR 65 -1.794 2.257 -9.685 498 HG22 THR 65 2HG2 THR 65 -1.640 3.907 -10.335 499 HG23 THR 65 3HG2 THR 65 -3.051 2.911 -10.762 500 H VAL 66 H VAL 66 2.268 0.699 -11.265 501 HA VAL 66 HA VAL 66 2.732 0.921 -8.566 502 HB VAL 66 HB VAL 66 4.379 -0.097 -9.821 503 HG11 VAL 66 1HG1 VAL 66 3.845 2.072 -11.763 504 HG12 VAL 66 2HG1 VAL 66 5.536 1.525 -11.678 505 HG13 VAL 66 3HG1 VAL 66 4.240 0.358 -12.031 506 HG21 VAL 66 1HG2 VAL 66 5.390 1.330 -8.124 507 HG22 VAL 66 2HG2 VAL 66 6.436 1.255 -9.562 508 HG23 VAL 66 3HG2 VAL 66 5.435 2.696 -9.264 509 H LEU 67 H LEU 67 1.932 2.634 -7.401 510 HA LEU 67 HA LEU 67 2.139 5.295 -8.468 511 HB2 LEU 67 1HB LEU 67 0.861 3.962 -6.145 512 HB3 LEU 67 2HB LEU 67 1.294 5.648 -5.944 513 HG LEU 67 HG LEU 67 -0.584 4.458 -7.994 514 HD11 LEU 67 1HD1 LEU 67 -0.965 6.373 -5.681 515 HD12 LEU 67 2HD1 LEU 67 -2.198 6.049 -6.924 516 HD13 LEU 67 3HD1 LEU 67 -1.633 4.733 -5.867 517 HD21 LEU 67 1HD2 LEU 67 -0.893 7.025 -8.519 518 HD22 LEU 67 2HD2 LEU 67 0.796 7.112 -7.962 519 HD23 LEU 67 3HD2 LEU 67 0.363 6.059 -9.330 520 H LEU 68 H LEU 68 3.511 3.458 -5.653 521 HA LEU 68 HA LEU 68 5.635 5.487 -5.586 522 HB2 LEU 68 1HB LEU 68 3.929 4.427 -3.542 523 HB3 LEU 68 2HB LEU 68 5.585 3.973 -3.192 524 HG LEU 68 HG LEU 68 4.785 6.822 -3.814 525 HD11 LEU 68 1HD1 LEU 68 5.218 5.901 -0.999 526 HD12 LEU 68 2HD1 LEU 68 4.291 7.286 -1.623 527 HD13 LEU 68 3HD1 LEU 68 3.633 5.639 -1.765 528 HD21 LEU 68 1HD2 LEU 68 7.265 5.680 -3.711 529 HD22 LEU 68 2HD2 LEU 68 6.912 7.397 -3.406 530 HD23 LEU 68 3HD2 LEU 68 7.067 6.265 -2.042 531 H ALA 69 H ALA 69 7.402 4.759 -6.643 532 HA ALA 69 HA ALA 69 7.872 1.898 -6.747 533 HB1 ALA 69 1HB ALA 69 9.834 3.732 -7.975 534 HB2 ALA 69 2HB ALA 69 8.941 2.367 -8.689 535 HB3 ALA 69 3HB ALA 69 8.167 3.964 -8.554 536 H SER 70 H SER 70 9.175 4.901 -5.300 537 HA SER 70 HA SER 70 11.222 3.258 -4.037 538 HB2 SER 70 1HB SER 70 12.665 4.998 -4.262 539 HB3 SER 70 2HB SER 70 11.505 5.641 -5.407 540 HG SER 70 HG SER 70 10.458 6.706 -3.492 541 H VAL 71 H VAL 71 10.286 2.466 -2.152 542 HA VAL 71 HA VAL 71 9.020 4.478 -0.421 543 HB VAL 71 HB VAL 71 8.371 1.578 -0.924 544 HG11 VAL 71 1HG1 VAL 71 6.769 1.700 0.950 545 HG12 VAL 71 2HG1 VAL 71 8.453 1.871 1.501 546 HG13 VAL 71 3HG1 VAL 71 7.406 3.305 1.381 547 HG21 VAL 71 1HG2 VAL 71 6.030 3.061 -0.811 548 HG22 VAL 71 2HG2 VAL 71 7.180 4.166 -1.600 549 HG23 VAL 71 3HG2 VAL 71 6.882 2.552 -2.288 550 H ASP 72 H ASP 72 9.400 4.208 1.900 551 HA ASP 72 HA ASP 72 12.079 3.637 2.397 552 HB2 ASP 72 1HB ASP 72 9.863 4.827 3.755 553 HB3 ASP 72 2HB ASP 72 10.442 3.555 4.811 554 HA PRO 73 HA PRO 73 11.635 -0.644 3.296 555 HB2 PRO 73 1HB PRO 73 14.070 -1.132 4.437 556 HB3 PRO 73 2HB PRO 73 13.818 -1.073 2.704 557 HG2 PRO 73 1HG PRO 73 15.088 0.937 4.461 558 HG3 PRO 73 2HG PRO 73 15.201 0.772 2.719 559 HD2 PRO 73 1HD PRO 73 13.627 2.686 4.163 560 HD3 PRO 73 2HD PRO 73 13.652 2.446 2.428 561 H LYS 74 H LYS 74 12.517 1.593 5.798 562 HA LYS 74 HA LYS 74 11.642 -0.324 7.802 563 HB2 LYS 74 1HB LYS 74 12.786 2.462 8.148 564 HB3 LYS 74 2HB LYS 74 12.518 1.278 9.411 565 HG2 LYS 74 1HG LYS 74 14.026 -0.195 7.620 566 HG3 LYS 74 2HG LYS 74 14.683 1.410 7.369 567 HD2 LYS 74 1HD LYS 74 14.490 -0.084 10.023 568 HD3 LYS 74 2HD LYS 74 15.956 0.297 9.142 569 HE2 LYS 74 1HE LYS 74 15.969 2.505 9.832 570 HE3 LYS 74 2HE LYS 74 14.223 2.646 9.783 571 HZ1 LYS 74 1HZ LYS 74 14.381 2.486 11.972 572 HZ2 LYS 74 2HZ LYS 74 14.630 0.885 11.763 573 HZ3 LYS 74 3HZ LYS 74 15.902 1.892 11.950 574 H ALA 75 H ALA 75 9.852 0.973 5.689 575 HA ALA 75 HA ALA 75 8.060 2.383 7.541 576 HB1 ALA 75 1HB ALA 75 8.652 2.616 4.599 577 HB2 ALA 75 2HB ALA 75 7.030 3.045 5.193 578 HB3 ALA 75 3HB ALA 75 8.462 3.894 5.823 579 H THR 76 H THR 76 5.950 1.634 7.822 580 HA THR 76 HA THR 76 5.287 -0.834 6.356 581 HB THR 76 HB THR 76 4.278 -1.613 8.540 582 HG1 THR 76 1HG THR 76 5.785 0.713 9.498 583 HG21 THR 76 1HG2 THR 76 7.002 -1.609 7.888 584 HG22 THR 76 2HG2 THR 76 6.979 -0.869 9.506 585 HG23 THR 76 3HG2 THR 76 6.279 -2.487 9.257 586 H SER 77 H SER 77 4.592 2.373 6.690 587 HA SER 77 HA SER 77 1.875 1.845 5.864 588 HB2 SER 77 1HB SER 77 1.238 3.961 7.301 589 HB3 SER 77 2HB SER 77 1.308 2.384 8.061 590 HG SER 77 HG SER 77 3.039 2.965 9.220 591 H VAL 78 H VAL 78 1.085 3.410 4.350 592 HA VAL 78 HA VAL 78 2.864 5.651 3.777 593 HB VAL 78 HB VAL 78 3.455 3.641 2.373 594 HG11 VAL 78 1HG1 VAL 78 0.601 3.744 1.847 595 HG12 VAL 78 2HG1 VAL 78 1.537 3.837 0.336 596 HG13 VAL 78 3HG1 VAL 78 1.785 2.475 1.455 597 HG21 VAL 78 1HG2 VAL 78 2.640 5.498 0.296 598 HG22 VAL 78 2HG2 VAL 78 3.265 6.364 1.721 599 HG23 VAL 78 3HG2 VAL 78 4.267 5.130 0.919 600 H THR 79 H THR 79 1.786 7.376 2.556 601 HA THR 79 HA THR 79 -1.147 7.175 2.780 602 HB THR 79 HB THR 79 0.666 9.616 3.166 603 HG1 THR 79 1HG THR 79 -0.894 7.910 4.977 604 HG21 THR 79 1HG2 THR 79 -1.271 10.791 3.828 605 HG22 THR 79 2HG2 THR 79 -1.915 9.809 2.491 606 HG23 THR 79 3HG2 THR 79 -2.173 9.297 4.176 607 H VAL 80 H VAL 80 -2.136 7.074 0.873 608 HA VAL 80 HA VAL 80 -0.703 8.007 -1.463 609 HB VAL 80 HB VAL 80 -3.329 6.557 -1.082 610 HG11 VAL 80 1HG1 VAL 80 -2.913 6.075 -3.615 611 HG12 VAL 80 2HG1 VAL 80 -3.651 7.619 -3.125 612 HG13 VAL 80 3HG1 VAL 80 -1.924 7.553 -3.552 613 HG21 VAL 80 1HG2 VAL 80 -0.966 5.476 -0.596 614 HG22 VAL 80 2HG2 VAL 80 -2.225 4.574 -1.475 615 HG23 VAL 80 3HG2 VAL 80 -0.901 5.357 -2.371 616 H LYS 81 H LYS 81 -1.550 9.589 -2.945 617 HA LYS 81 HA LYS 81 -3.772 11.178 -1.938 618 HB2 LYS 81 1HB LYS 81 -1.052 12.358 -2.577 619 HB3 LYS 81 2HB LYS 81 -2.502 13.268 -2.204 620 HG2 LYS 81 1HG LYS 81 -2.592 12.385 0.053 621 HG3 LYS 81 2HG LYS 81 -1.381 11.169 -0.300 622 HD2 LYS 81 1HD LYS 81 -0.201 13.691 -0.966 623 HD3 LYS 81 2HD LYS 81 -1.001 13.916 0.577 624 HE2 LYS 81 1HE LYS 81 0.635 12.759 1.641 625 HE3 LYS 81 2HE LYS 81 0.344 11.355 0.633 626 HZ1 LYS 81 1HZ LYS 81 2.270 13.486 0.271 627 HZ2 LYS 81 2HZ LYS 81 2.442 11.879 0.037 628 HZ3 LYS 81 3HZ LYS 81 1.662 12.786 -1.074 629 H GLY 82 H GLY 82 -4.216 13.005 -3.710 630 HA2 GLY 82 1HA GLY 82 -4.849 13.451 -5.819 631 HA3 GLY 82 2HA GLY 82 -3.431 12.576 -6.364 632 H LEU 83 H LEU 83 -6.547 11.697 -4.689 633 HA LEU 83 HA LEU 83 -6.790 9.514 -6.638 634 HB2 LEU 83 1HB LEU 83 -7.892 9.747 -3.834 635 HB3 LEU 83 2HB LEU 83 -8.195 8.418 -4.935 636 HG LEU 83 HG LEU 83 -5.616 9.170 -3.565 637 HD11 LEU 83 1HD1 LEU 83 -7.116 7.752 -2.298 638 HD12 LEU 83 2HD1 LEU 83 -7.249 6.619 -3.665 639 HD13 LEU 83 3HD1 LEU 83 -5.694 6.817 -2.821 640 HD21 LEU 83 1HD2 LEU 83 -4.579 7.275 -4.889 641 HD22 LEU 83 2HD2 LEU 83 -5.970 7.404 -5.992 642 HD23 LEU 83 3HD2 LEU 83 -4.873 8.789 -5.777 643 H VAL 84 H VAL 84 -9.363 8.877 -6.679 644 HA VAL 84 HA VAL 84 -10.689 11.409 -7.361 645 HB VAL 84 HB VAL 84 -10.890 8.649 -8.574 646 HG11 VAL 84 1HG1 VAL 84 -12.684 9.320 -9.902 647 HG12 VAL 84 2HG1 VAL 84 -13.087 10.024 -8.317 648 HG13 VAL 84 3HG1 VAL 84 -12.397 11.050 -9.597 649 HG21 VAL 84 1HG2 VAL 84 -9.265 10.940 -9.150 650 HG22 VAL 84 2HG2 VAL 84 -9.330 9.372 -9.991 651 HG23 VAL 84 3HG2 VAL 84 -10.409 10.697 -10.492 652 HA PRO 85 HA PRO 85 -13.595 10.318 -4.341 653 HB2 PRO 85 1HB PRO 85 -15.564 12.117 -4.936 654 HB3 PRO 85 2HB PRO 85 -14.149 12.524 -3.986 655 HG2 PRO 85 1HG PRO 85 -14.758 13.216 -6.795 656 HG3 PRO 85 2HG PRO 85 -13.590 13.947 -5.713 657 HD2 PRO 85 1HD PRO 85 -13.039 12.110 -7.847 658 HD3 PRO 85 2HD PRO 85 -11.887 12.751 -6.692 659 H ALA 86 H ALA 86 -15.361 9.012 -3.912 660 HA ALA 86 HA ALA 86 -16.880 7.488 -4.424 661 HB1 ALA 86 1HB ALA 86 -17.616 9.833 -5.790 662 HB2 ALA 86 2HB ALA 86 -17.806 8.529 -6.986 663 HB3 ALA 86 3HB ALA 86 -18.658 8.436 -5.426 664 H ARG 87 H ARG 87 -14.348 6.691 -4.994 665 HA ARG 87 HA ARG 87 -14.844 5.014 -7.266 666 HB2 ARG 87 1HB ARG 87 -12.716 7.135 -7.174 667 HB3 ARG 87 2HB ARG 87 -12.227 5.582 -7.820 668 HG2 ARG 87 1HG ARG 87 -14.445 5.764 -9.255 669 HG3 ARG 87 2HG ARG 87 -14.360 7.469 -8.860 670 HD2 ARG 87 1HD ARG 87 -11.940 7.445 -9.730 671 HD3 ARG 87 2HD ARG 87 -12.241 5.820 -10.314 672 HE ARG 87 HE ARG 87 -13.211 8.287 -11.502 673 HH11 ARG 87 2HH2 ARG 87 -13.990 4.885 -11.055 674 HH12 ARG 87 1HH2 ARG 87 -14.984 4.795 -12.471 675 HH21 ARG 87 2HH1 ARG 87 -14.522 8.169 -13.370 676 HH22 ARG 87 1HH1 ARG 87 -15.289 6.676 -13.796 677 H SER 88 H SER 88 -13.672 2.999 -7.129 678 HA SER 88 HA SER 88 -12.765 2.446 -4.490 679 HB2 SER 88 1HB SER 88 -13.030 0.751 -7.006 680 HB3 SER 88 2HB SER 88 -12.420 0.105 -5.495 681 HG SER 88 HG SER 88 -14.647 1.341 -4.784 682 H TYR 89 H TYR 89 -10.624 1.569 -3.946 683 HA TYR 89 HA TYR 89 -8.569 1.892 -5.981 684 HB2 TYR 89 1HB TYR 89 -9.013 3.446 -3.391 685 HB3 TYR 89 2HB TYR 89 -7.361 3.132 -3.886 686 HD1 TYR 89 2HD TYR 89 -6.784 3.804 -6.387 687 HD2 TYR 89 1HD TYR 89 -10.071 5.380 -4.147 688 HE1 TYR 89 2HE TYR 89 -6.864 5.833 -7.917 689 HE2 TYR 89 1HE TYR 89 -10.140 7.403 -5.685 690 HH TYR 89 HH TYR 89 -7.871 7.675 -8.409 691 H GLN 90 H GLN 90 -7.160 0.211 -5.873 692 HA GLN 90 HA GLN 90 -7.171 -1.278 -3.369 693 HB2 GLN 90 1HB GLN 90 -6.803 -2.100 -6.258 694 HB3 GLN 90 2HB GLN 90 -6.142 -3.103 -4.982 695 HG2 GLN 90 1HG GLN 90 -8.453 -3.114 -3.898 696 HG3 GLN 90 2HG GLN 90 -9.064 -2.280 -5.313 697 HE21 GLN 90 1HE2 GLN 90 -9.006 -5.147 -3.938 698 HE22 GLN 90 2HE2 GLN 90 -8.957 -6.226 -5.292 699 H PHE 91 H PHE 91 -5.047 -2.326 -2.748 700 HA PHE 91 HA PHE 91 -2.730 -0.956 -3.857 701 HB2 PHE 91 1HB PHE 91 -3.703 -1.042 -0.944 702 HB3 PHE 91 2HB PHE 91 -2.043 -0.648 -1.345 703 HD1 PHE 91 2HD PHE 91 -2.407 1.060 -3.732 704 HD2 PHE 91 1HD PHE 91 -4.583 0.934 -0.092 705 HE1 PHE 91 2HE PHE 91 -3.050 3.468 -4.033 706 HE2 PHE 91 1HE PHE 91 -5.227 3.341 -0.393 707 HZ PHE 91 HZ PHE 91 -4.452 4.579 -2.360 708 H ARG 92 H ARG 92 -0.740 -2.104 -3.560 709 HA ARG 92 HA ARG 92 -0.669 -4.404 -1.957 710 HB2 ARG 92 1HB ARG 92 -0.314 -6.046 -3.871 711 HB3 ARG 92 2HB ARG 92 -1.961 -5.468 -3.720 712 HG2 ARG 92 1HG ARG 92 -1.909 -4.493 -5.776 713 HG3 ARG 92 2HG ARG 92 -0.397 -3.677 -5.432 714 HD2 ARG 92 1HD ARG 92 0.311 -5.093 -7.141 715 HD3 ARG 92 2HD ARG 92 0.642 -6.121 -5.761 716 HE ARG 92 HE ARG 92 -2.060 -6.578 -6.560 717 HH11 ARG 92 2HH2 ARG 92 1.207 -7.106 -7.758 718 HH12 ARG 92 1HH2 ARG 92 0.775 -8.497 -8.695 719 HH21 ARG 92 2HH1 ARG 92 -2.630 -8.413 -7.796 720 HH22 ARG 92 1HH1 ARG 92 -1.422 -9.245 -8.717 721 H LEU 93 H LEU 93 1.376 -3.901 -1.180 722 HA LEU 93 HA LEU 93 3.422 -3.285 -3.195 723 HB2 LEU 93 1HB LEU 93 4.590 -2.061 -1.495 724 HB3 LEU 93 2HB LEU 93 2.956 -1.451 -1.668 725 HG LEU 93 HG LEU 93 3.592 -3.457 0.482 726 HD11 LEU 93 1HD1 LEU 93 3.812 -0.502 1.002 727 HD12 LEU 93 2HD1 LEU 93 4.389 -1.872 1.981 728 HD13 LEU 93 3HD1 LEU 93 5.222 -1.448 0.467 729 HD21 LEU 93 1HD2 LEU 93 1.470 -3.132 1.033 730 HD22 LEU 93 2HD2 LEU 93 1.775 -1.392 1.255 731 HD23 LEU 93 3HD2 LEU 93 1.286 -2.014 -0.340 732 H CYS 94 H CYS 94 5.547 -4.249 -2.908 733 HA CYS 94 HA CYS 94 5.377 -6.725 -1.348 734 HB2 CYS 94 1HB CYS 94 6.921 -7.725 -3.017 735 HB3 CYS 94 2HB CYS 94 5.368 -7.278 -3.694 736 HG CYS 94 HG CYS 94 7.760 -6.782 -5.120 737 H ALA 95 H ALA 95 7.842 -7.535 -0.970 738 HA ALA 95 HA ALA 95 9.220 -5.206 0.151 739 HB1 ALA 95 1HB ALA 95 10.344 -6.929 1.574 740 HB2 ALA 95 2HB ALA 95 8.574 -6.918 1.763 741 HB3 ALA 95 3HB ALA 95 9.357 -8.181 0.783 742 H VAL 96 H VAL 96 10.999 -4.457 -0.880 743 HA VAL 96 HA VAL 96 12.409 -6.366 -2.615 744 HB VAL 96 HB VAL 96 11.982 -3.392 -2.964 745 HG11 VAL 96 1HG1 VAL 96 13.703 -5.388 -4.417 746 HG12 VAL 96 2HG1 VAL 96 13.006 -4.003 -5.291 747 HG13 VAL 96 3HG1 VAL 96 14.082 -3.728 -3.899 748 HG21 VAL 96 1HG2 VAL 96 11.075 -5.318 -5.029 749 HG22 VAL 96 2HG2 VAL 96 10.169 -5.338 -3.497 750 HG23 VAL 96 3HG2 VAL 96 10.309 -3.828 -4.429 751 H ASN 97 H ASN 97 14.576 -6.643 -2.249 752 HA ASN 97 HA ASN 97 15.871 -4.651 -0.592 753 HB2 ASN 97 1HB ASN 97 17.039 -6.799 0.506 754 HB3 ASN 97 2HB ASN 97 15.522 -6.194 1.139 755 HD21 ASN 97 1HD2 ASN 97 16.092 -8.707 1.684 756 HD22 ASN 97 2HD2 ASN 97 15.145 -9.832 0.768 757 H ASP 98 H ASP 98 18.405 -5.757 -0.383 758 HA ASP 98 HA ASP 98 19.522 -5.364 -2.799 759 HB2 ASP 98 1HB ASP 98 20.788 -5.471 -0.679 760 HB3 ASP 98 2HB ASP 98 20.464 -7.188 -0.538 761 H VAL 99 H VAL 99 18.714 -8.535 -1.194 762 HA VAL 99 HA VAL 99 19.610 -10.295 -3.031 763 HB VAL 99 HB VAL 99 18.176 -11.834 -2.077 764 HG11 VAL 99 1HG1 VAL 99 17.838 -9.933 0.181 765 HG12 VAL 99 2HG1 VAL 99 18.578 -11.551 0.139 766 HG13 VAL 99 3HG1 VAL 99 19.495 -10.138 -0.435 767 HG21 VAL 99 1HG2 VAL 99 16.070 -10.776 -2.829 768 HG22 VAL 99 2HG2 VAL 99 15.971 -11.360 -1.150 769 HG23 VAL 99 3HG2 VAL 99 16.181 -9.623 -1.477 770 H GLY 100 H GLY 100 16.416 -8.574 -3.107 771 HA2 GLY 100 1HA GLY 100 16.302 -7.951 -5.729 772 HA3 GLY 100 2HA GLY 100 15.819 -9.636 -5.729 773 H LYS 101 H LYS 101 13.616 -9.641 -6.014 774 HA LYS 101 HA LYS 101 12.078 -8.092 -4.056 775 HB2 LYS 101 1HB LYS 101 11.925 -6.818 -6.070 776 HB3 LYS 101 2HB LYS 101 11.642 -8.245 -7.046 777 HG2 LYS 101 1HG LYS 101 9.564 -8.546 -5.349 778 HG3 LYS 101 2HG LYS 101 9.757 -6.812 -5.182 779 HD2 LYS 101 1HD LYS 101 9.338 -8.328 -7.802 780 HD3 LYS 101 2HD LYS 101 8.150 -7.330 -6.988 781 HE2 LYS 101 1HE LYS 101 9.307 -5.312 -7.484 782 HE3 LYS 101 2HE LYS 101 10.830 -6.135 -7.759 783 HZ1 LYS 101 1HZ LYS 101 9.556 -5.393 -9.766 784 HZ2 LYS 101 2HZ LYS 101 10.072 -6.943 -9.787 785 HZ3 LYS 101 3HZ LYS 101 8.504 -6.608 -9.474 786 H GLY 102 H GLY 102 10.432 -9.213 -3.062 787 HA2 GLY 102 1HA GLY 102 10.299 -12.068 -3.683 788 HA3 GLY 102 2HA GLY 102 9.727 -11.264 -2.235 789 H GLN 103 H GLN 103 7.541 -11.541 -2.080 790 HA GLN 103 HA GLN 103 6.037 -11.253 -4.560 791 HB2 GLN 103 1HB GLN 103 4.230 -12.526 -3.328 792 HB3 GLN 103 2HB GLN 103 5.696 -13.443 -3.609 793 HG2 GLN 103 1HG GLN 103 5.937 -12.005 -1.091 794 HG3 GLN 103 2HG GLN 103 4.427 -12.895 -1.103 795 HE21 GLN 103 1HE2 GLN 103 6.603 -13.440 0.574 796 HE22 GLN 103 2HE2 GLN 103 7.236 -15.012 0.213 797 H PHE 104 H PHE 104 3.642 -10.436 -4.061 798 HA PHE 104 HA PHE 104 3.995 -8.006 -2.482 799 HB2 PHE 104 1HB PHE 104 2.138 -8.999 -4.709 800 HB3 PHE 104 2HB PHE 104 1.744 -7.543 -3.816 801 HD1 PHE 104 2HD PHE 104 4.383 -9.072 -5.935 802 HD2 PHE 104 1HD PHE 104 2.694 -5.487 -4.416 803 HE1 PHE 104 2HE PHE 104 5.840 -7.732 -7.477 804 HE2 PHE 104 1HE PHE 104 4.152 -4.147 -5.959 805 HZ PHE 104 HZ PHE 104 5.707 -5.286 -7.471 806 H SER 105 H SER 105 1.587 -7.216 -1.701 807 HA SER 105 HA SER 105 0.768 -9.381 0.044 808 HB2 SER 105 1HB SER 105 -0.482 -7.356 1.181 809 HB3 SER 105 2HB SER 105 1.247 -7.544 1.399 810 HG SER 105 HG SER 105 -0.156 -5.713 -0.327 811 H LYS 106 H LYS 106 -1.576 -9.747 0.432 812 HA LYS 106 HA LYS 106 -3.027 -10.073 -1.857 813 HB2 LYS 106 1HB LYS 106 -3.657 -10.020 1.061 814 HB3 LYS 106 2HB LYS 106 -5.006 -9.969 -0.056 815 HG2 LYS 106 1HG LYS 106 -2.768 -12.044 -0.190 816 HG3 LYS 106 2HG LYS 106 -4.297 -12.311 0.624 817 HD2 LYS 106 1HD LYS 106 -4.699 -11.284 -2.104 818 HD3 LYS 106 2HD LYS 106 -3.746 -12.754 -2.109 819 HE2 LYS 106 1HE LYS 106 -5.584 -13.672 -0.449 820 HE3 LYS 106 2HE LYS 106 -6.556 -12.338 -1.037 821 HZ1 LYS 106 1HZ LYS 106 -5.940 -14.753 -2.321 822 HZ2 LYS 106 2HZ LYS 106 -7.017 -13.606 -2.759 823 HZ3 LYS 106 3HZ LYS 106 -5.465 -13.503 -3.257 824 H ASP 107 H ASP 107 -5.178 -9.013 -2.444 825 HA ASP 107 HA ASP 107 -4.640 -6.282 -2.868 826 HB2 ASP 107 1HB ASP 107 -7.109 -6.406 -3.774 827 HB3 ASP 107 2HB ASP 107 -5.839 -7.261 -4.627 828 H THR 108 H THR 108 -5.028 -4.717 -1.294 829 HA THR 108 HA THR 108 -6.360 -5.145 1.076 830 HB THR 108 HB THR 108 -6.407 -2.562 1.073 831 HG1 THR 108 1HG THR 108 -6.395 -1.889 -1.043 832 HG21 THR 108 1HG2 THR 108 -4.197 -4.291 1.235 833 HG22 THR 108 2HG2 THR 108 -3.712 -3.115 -0.010 834 HG23 THR 108 3HG2 THR 108 -4.176 -2.552 1.614 835 H GLU 109 H GLU 109 -8.409 -4.679 1.916 836 HA GLU 109 HA GLU 109 -10.507 -5.418 0.399 837 HB2 GLU 109 1HB GLU 109 -10.082 -4.452 3.038 838 HB3 GLU 109 2HB GLU 109 -11.376 -3.467 2.384 839 HG2 GLU 109 1HG GLU 109 -12.400 -5.744 1.558 840 HG3 GLU 109 2HG GLU 109 -11.288 -6.489 2.690 841 H ARG 110 H ARG 110 -11.823 -4.497 -1.143 842 HA ARG 110 HA ARG 110 -11.163 -2.430 -2.599 843 HB2 ARG 110 1HB ARG 110 -13.386 -4.042 -2.445 844 HB3 ARG 110 2HB ARG 110 -14.102 -2.502 -2.014 845 HG2 ARG 110 1HG ARG 110 -12.683 -1.648 -4.139 846 HG3 ARG 110 2HG ARG 110 -12.800 -3.333 -4.604 847 HD2 ARG 110 1HD ARG 110 -15.383 -3.014 -4.004 848 HD3 ARG 110 2HD ARG 110 -15.025 -1.313 -4.230 849 HE ARG 110 HE ARG 110 -14.880 -1.684 -6.531 850 HH11 ARG 110 2HH2 ARG 110 -14.483 -4.756 -4.860 851 HH12 ARG 110 1HH2 ARG 110 -14.474 -5.693 -6.317 852 HH21 ARG 110 2HH1 ARG 110 -14.869 -2.920 -8.453 853 HH22 ARG 110 1HH1 ARG 110 -14.695 -4.641 -8.374 854 H VAL 111 H VAL 111 -10.438 -0.440 -1.847 855 HA VAL 111 HA VAL 111 -11.962 0.847 0.278 856 HB VAL 111 HB VAL 111 -9.294 1.501 -0.989 857 HG11 VAL 111 1HG1 VAL 111 -10.821 2.766 1.298 858 HG12 VAL 111 2HG1 VAL 111 -9.060 2.941 1.110 859 HG13 VAL 111 3HG1 VAL 111 -10.154 3.544 -0.158 860 HG21 VAL 111 1HG2 VAL 111 -8.766 -0.380 0.202 861 HG22 VAL 111 2HG2 VAL 111 -8.647 0.820 1.511 862 HG23 VAL 111 3HG2 VAL 111 -10.114 -0.174 1.346 863 H SER 112 H SER 112 -13.500 2.322 -0.202 864 HA SER 112 HA SER 112 -13.377 3.463 -2.876 865 HB2 SER 112 1HB SER 112 -15.729 3.620 -2.852 866 HB3 SER 112 2HB SER 112 -15.423 2.101 -2.033 867 HG SER 112 HG SER 112 -16.994 3.662 -0.998 868 H LEU 113 H LEU 113 -13.538 5.753 -3.164 869 HA LEU 113 HA LEU 113 -12.786 7.249 -0.797 870 HB2 LEU 113 1HB LEU 113 -12.059 7.298 -3.492 871 HB3 LEU 113 2HB LEU 113 -13.010 8.753 -3.267 872 HG LEU 113 HG LEU 113 -11.276 8.684 -1.058 873 HD11 LEU 113 1HD1 LEU 113 -9.042 8.532 -2.118 874 HD12 LEU 113 2HD1 LEU 113 -9.912 6.980 -2.087 875 HD13 LEU 113 3HD1 LEU 113 -9.814 7.915 -3.598 876 HD21 LEU 113 1HD2 LEU 113 -10.196 10.406 -3.035 877 HD22 LEU 113 2HD2 LEU 113 -11.962 10.393 -3.250 878 HD23 LEU 113 3HD2 LEU 113 -11.261 10.814 -1.669 879 HA PRO 114 HA PRO 114 -16.654 9.091 -0.287 880 HB2 PRO 114 1HB PRO 114 -16.019 11.530 0.769 881 HB3 PRO 114 2HB PRO 114 -16.032 10.052 1.711 882 HG2 PRO 114 1HG PRO 114 -13.715 11.578 0.689 883 HG3 PRO 114 2HG PRO 114 -13.761 10.372 1.959 884 HD2 PRO 114 1HD PRO 114 -12.809 10.006 -0.721 885 HD3 PRO 114 2HD PRO 114 -12.963 8.772 0.514 886 H GLU 115 H GLU 115 -18.260 9.990 -1.457 887 HA GLU 115 HA GLU 115 -17.484 11.093 -3.893 888 HB2 GLU 115 1HB GLU 115 -19.724 9.904 -3.067 889 HB3 GLU 115 2HB GLU 115 -20.241 11.549 -2.753 890 HG2 GLU 115 1HG GLU 115 -19.517 10.265 -5.396 891 HG3 GLU 115 2HG GLU 115 -20.948 11.187 -4.981 892 H SER 116 H SER 116 -17.130 13.197 -4.552 893 HA SER 116 HA SER 116 -17.101 15.154 -2.463 894 HB2 SER 116 1HB SER 116 -15.196 15.002 -4.013 895 HB3 SER 116 2HB SER 116 -16.249 15.265 -5.389 896 HG SER 116 HG SER 116 -16.651 17.300 -3.624 897 H GLY 117 H GLY 117 -19.209 15.837 -1.992 898 HA2 GLY 117 1HA GLY 117 -20.458 17.799 -3.333 899 HA3 GLY 117 2HA GLY 117 -21.080 16.372 -4.139 900 HA PRO 118 HA PRO 118 -23.800 16.817 -0.617 901 HB2 PRO 118 1HB PRO 118 -26.095 16.064 -1.895 902 HB3 PRO 118 2HB PRO 118 -25.560 17.730 -1.788 903 HG2 PRO 118 1HG PRO 118 -25.461 15.897 -4.105 904 HG3 PRO 118 2HG PRO 118 -25.338 17.645 -4.082 905 HD2 PRO 118 1HD PRO 118 -23.185 15.776 -4.405 906 HD3 PRO 118 2HD PRO 118 -23.049 17.518 -4.266 907 H SER 119 H SER 119 -22.552 15.151 0.397 908 HA SER 119 HA SER 119 -24.054 12.674 0.186 909 HB2 SER 119 1HB SER 119 -21.883 12.542 -1.132 910 HB3 SER 119 2HB SER 119 -21.012 12.799 0.367 911 HG SER 119 HG SER 119 -21.233 10.723 0.802 912 H SER 120 H SER 120 -25.068 12.768 2.191 913 HA SER 120 HA SER 120 -23.980 13.969 4.413 914 HB2 SER 120 1HB SER 120 -26.416 13.249 3.940 915 HB3 SER 120 2HB SER 120 -25.950 11.651 4.489 916 HG SER 120 HG SER 120 -26.623 13.825 5.982 917 H GLY 121 H GLY 121 -22.197 13.377 5.588 918 HA2 GLY 121 1HA GLY 121 -21.606 11.385 7.089 919 HA3 GLY 121 2HA GLY 121 -21.416 10.535 5.568
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